24 Benzene Dimer H 2.1527918 -1.2429149 0.0000000 C 1.2047582 -0.6955675 0.0000000 C 1.2047582 0.6955675 0.0000000 H 2.1527918 1.2429149 0.0000000 C 0.0000000 1.3911349 0.0000000 H 0.0000000 2.4858298 0.0000000 C -1.2047582 0.6955675 0.0000000 H -2.1527918 1.2429149 0.0000000 C -1.2047582 -0.6955675 0.0000000 H -2.1527918 -1.2429149 0.0000000 C 0.0000000 -1.3911349 0.0000000 H 0.0000000 -2.4858298 0.0000000 H 2.1527918 -1.2429149 3.8 C 1.2047582 -0.6955675 3.8 C 1.2047582 0.6955675 3.8 H 2.1527918 1.2429149 3.8 C 0.0000000 1.3911349 3.8 H 0.0000000 2.4858298 3.8 C -1.2047582 0.6955675 3.8 H -2.1527918 1.2429149 3.8 C -1.2047582 -0.6955675 3.8 H -2.1527918 -1.2429149 3.8 C 0.0000000 -1.3911349 3.8 H 0.0000000 -2.4858298 3.8 72 -- Coronene dimer C 1.2212724 -0.7051019 0.0000000 C 1.2212724 0.7051019 0.0000000 C 0.0000000 -1.4102039 0.0000000 C 2.4434020 -1.4106988 0.0000000 C 0.0000000 1.4102039 0.0000000 C -1.2212724 -0.7051019 0.0000000 C 2.4434020 1.4106988 0.0000000 C 0.0000000 -2.8213976 0.0000000 C 3.6544383 -0.7002226 0.0000000 C 2.4336298 -2.8147251 0.0000000 C 3.6544383 0.7002226 0.0000000 C -1.2212724 0.7051019 0.0000000 C 1.2208086 -3.5149478 0.0000000 C 0.0000000 2.8213976 0.0000000 C -2.4434020 -1.4106988 0.0000000 C 2.4336298 2.8147251 0.0000000 C -1.2208086 -3.5149478 0.0000000 C -2.4434020 1.4106988 0.0000000 C 1.2208086 3.5149478 0.0000000 C -2.4336298 -2.8147251 0.0000000 C -1.2208086 3.5149478 0.0000000 C -3.6544383 -0.7002226 0.0000000 C -2.4336298 2.8147251 0.0000000 C -3.6544383 0.7002226 0.0000000 H 4.5998920 -1.2294500 0.0000000 H 3.3646809 -3.3688983 0.0000000 H 4.5998920 1.2294500 0.0000000 H 1.2352110 -4.5983483 0.0000000 H 3.3646809 3.3688983 0.0000000 H -1.2352110 -4.5983483 0.0000000 H 1.2352110 4.5983483 0.0000000 H -3.3646809 -3.3688983 0.0000000 H -1.2352110 4.5983483 0.0000000 H -4.5998920 -1.2294500 0.0000000 H -3.3646809 3.3688983 0.0000000 H -4.5998920 1.2294500 0.0000000 C 1.2212724 -0.7051019 3.8 C 1.2212724 0.7051019 3.8 C 0.0000000 -1.4102039 3.8 C 2.4434020 -1.4106988 3.8 C 0.0000000 1.4102039 3.8 C -1.2212724 -0.7051019 3.8 C 2.4434020 1.4106988 3.8 C 0.0000000 -2.8213976 3.8 C 3.6544383 -0.7002226 3.8 C 2.4336298 -2.8147251 3.8 C 3.6544383 0.7002226 3.8 C -1.2212724 0.7051019 3.8 C 1.2208086 -3.5149478 3.8 C 0.0000000 2.8213976 3.8 C -2.4434020 -1.4106988 3.8 C 2.4336298 2.8147251 3.8 C -1.2208086 -3.5149478 3.8 C -2.4434020 1.4106988 3.8 C 1.2208086 3.5149478 3.8 C -2.4336298 -2.8147251 3.8 C -1.2208086 3.5149478 3.8 C -3.6544383 -0.7002226 3.8 C -2.4336298 2.8147251 3.8 C -3.6544383 0.7002226 3.8 H 4.5998920 -1.2294500 3.8 H 3.3646809 -3.3688983 3.8 H 4.5998920 1.2294500 3.8 H 1.2352110 -4.5983483 3.8 H 3.3646809 3.3688983 3.8 H -1.2352110 -4.5983483 3.8 H 1.2352110 4.5983483 3.8 H -3.3646809 -3.3688983 3.8 H -1.2352110 4.5983483 3.8 H -4.5998920 -1.2294500 3.8 H -3.3646809 3.3688983 3.8 H -4.5998920 1.2294500 3.8 144 Circumcoronene dimer C 1.2212559 -0.7050924 0.0000000 C 1.2212559 0.7050924 0.0000000 C 0.0000000 -1.4101848 0.0000000 C 2.4425311 -1.4101960 0.0000000 C 0.0000000 1.4101848 0.0000000 C -1.2212559 -0.7050924 0.0000000 C 2.4425311 1.4101960 0.0000000 C 0.0000000 -2.8203920 0.0000000 C 3.6638981 -0.7059326 0.0000000 C 2.4433046 -2.8200625 0.0000000 C 3.6638981 0.7059326 0.0000000 C -1.2212559 0.7050924 0.0000000 C 1.2205934 -3.5259951 0.0000000 C 0.0000000 2.8203920 0.0000000 C -2.4425311 -1.4101960 0.0000000 C 2.4433046 2.8200625 0.0000000 C -1.2205934 -3.5259951 0.0000000 C 4.8865384 -1.4122566 0.0000000 C 3.6663193 -3.5257381 0.0000000 C -2.4425311 1.4101960 0.0000000 C 1.2205934 3.5259951 0.0000000 C -2.4433046 -2.8200625 0.0000000 C 4.8865384 1.4122566 0.0000000 C 1.2202191 -4.9379947 0.0000000 C 4.8813403 -2.8182431 0.0000000 C -1.2205934 3.5259951 0.0000000 C -3.6638981 -0.7059326 0.0000000 C 3.6663193 3.5257381 0.0000000 C -1.2202191 -4.9379947 0.0000000 C 6.0967900 -0.7002629 0.0000000 C 3.6548404 -4.9298436 0.0000000 C -2.4433046 2.8200625 0.0000000 C -3.6638981 0.7059326 0.0000000 C 4.8813403 2.8182431 0.0000000 C 0.0000000 -5.6364863 0.0000000 C 6.0967900 0.7002629 0.0000000 C 2.4419496 -5.6301064 0.0000000 C 1.2202191 4.9379947 0.0000000 C -3.6663193 -3.5257381 0.0000000 C -1.2202191 4.9379947 0.0000000 C -4.8865384 -1.4122566 0.0000000 C 3.6548404 4.9298436 0.0000000 C -2.4419496 -5.6301064 0.0000000 C -3.6663193 3.5257381 0.0000000 C -4.8865384 1.4122566 0.0000000 C 0.0000000 5.6364863 0.0000000 C -4.8813403 -2.8182431 0.0000000 C 2.4419496 5.6301064 0.0000000 C -3.6548404 -4.9298436 0.0000000 C -4.8813403 2.8182431 0.0000000 C -2.4419496 5.6301064 0.0000000 C -6.0967900 -0.7002629 0.0000000 C -3.6548404 4.9298436 0.0000000 C -6.0967900 0.7002629 0.0000000 H 5.8207034 -3.3605847 0.0000000 H 7.0427096 -1.2286301 0.0000000 H 4.5853797 -5.4848503 0.0000000 H 5.8207034 3.3605847 0.0000000 H 0.0000000 -6.7211694 0.0000000 H 7.0427096 1.2286301 0.0000000 H 2.4573299 -6.7134804 0.0000000 H 4.5853797 5.4848503 0.0000000 H -2.4573299 -6.7134804 0.0000000 H 0.0000000 6.7211694 0.0000000 H -5.8207034 -3.3605847 0.0000000 H 2.4573299 6.7134804 0.0000000 H -4.5853797 -5.4848503 0.0000000 H -5.8207034 3.3605847 0.0000000 H -2.4573299 6.7134804 0.0000000 H -7.0427096 -1.2286301 0.0000000 H -4.5853797 5.4848503 0.0000000 H -7.0427096 1.2286301 0.0000000 C 1.2212559 -0.7050924 3.8 C 1.2212559 0.7050924 3.8 C 0.0000000 -1.4101848 3.8 C 2.4425311 -1.4101960 3.8 C 0.0000000 1.4101848 3.8 C -1.2212559 -0.7050924 3.8 C 2.4425311 1.4101960 3.8 C 0.0000000 -2.8203920 3.8 C 3.6638981 -0.7059326 3.8 C 2.4433046 -2.8200625 3.8 C 3.6638981 0.7059326 3.8 C -1.2212559 0.7050924 3.8 C 1.2205934 -3.5259951 3.8 C 0.0000000 2.8203920 3.8 C -2.4425311 -1.4101960 3.8 C 2.4433046 2.8200625 3.8 C -1.2205934 -3.5259951 3.8 C 4.8865384 -1.4122566 3.8 C 3.6663193 -3.5257381 3.8 C -2.4425311 1.4101960 3.8 C 1.2205934 3.5259951 3.8 C -2.4433046 -2.8200625 3.8 C 4.8865384 1.4122566 3.8 C 1.2202191 -4.9379947 3.8 C 4.8813403 -2.8182431 3.8 C -1.2205934 3.5259951 3.8 C -3.6638981 -0.7059326 3.8 C 3.6663193 3.5257381 3.8 C -1.2202191 -4.9379947 3.8 C 6.0967900 -0.7002629 3.8 C 3.6548404 -4.9298436 3.8 C -2.4433046 2.8200625 3.8 C -3.6638981 0.7059326 3.8 C 4.8813403 2.8182431 3.8 C 0.0000000 -5.6364863 3.8 C 6.0967900 0.7002629 3.8 C 2.4419496 -5.6301064 3.8 C 1.2202191 4.9379947 3.8 C -3.6663193 -3.5257381 3.8 C -1.2202191 4.9379947 3.8 C -4.8865384 -1.4122566 3.8 C 3.6548404 4.9298436 3.8 C -2.4419496 -5.6301064 3.8 C -3.6663193 3.5257381 3.8 C -4.8865384 1.4122566 3.8 C 0.0000000 5.6364863 3.8 C -4.8813403 -2.8182431 3.8 C 2.4419496 5.6301064 3.8 C -3.6548404 -4.9298436 3.8 C -4.8813403 2.8182431 3.8 C -2.4419496 5.6301064 3.8 C -6.0967900 -0.7002629 3.8 C -3.6548404 4.9298436 3.8 C -6.0967900 0.7002629 3.8 H 5.8207034 -3.3605847 3.8 H 7.0427096 -1.2286301 3.8 H 4.5853797 -5.4848503 3.8 H 5.8207034 3.3605847 3.8 H 0.0000000 -6.7211694 3.8 H 7.0427096 1.2286301 3.8 H 2.4573299 -6.7134804 3.8 H 4.5853797 5.4848503 3.8 H -2.4573299 -6.7134804 3.8 H 0.0000000 6.7211694 3.8 H -5.8207034 -3.3605847 3.8 H 2.4573299 6.7134804 3.8 H -4.5853797 -5.4848503 3.8 H -5.8207034 3.3605847 3.8 H -2.4573299 6.7134804 3.8 H -7.0427096 -1.2286301 3.8 H -4.5853797 5.4848503 3.8 H -7.0427096 1.2286301 3.8 240 Circumcircumcoronene dimer C 1.2311085 -0.7107808 0.0000000 C 1.2311085 0.7107808 0.0000000 C 0.0000000 -1.4215617 0.0000000 C 2.4627584 -1.4218742 0.0000000 C 0.0000000 1.4215617 0.0000000 C -1.2311085 -0.7107808 0.0000000 C 2.4627584 1.4218742 0.0000000 C 0.0000000 -2.8437485 0.0000000 C 3.6935109 -0.7110702 0.0000000 C 2.4625603 -2.8431392 0.0000000 C 3.6935109 0.7110702 0.0000000 C -1.2311085 0.7107808 0.0000000 C 1.2309506 -3.5542093 0.0000000 C 0.0000000 2.8437485 0.0000000 C -2.4627584 -1.4218742 0.0000000 C 2.4625603 2.8431392 0.0000000 C -1.2309506 -3.5542093 0.0000000 C 4.9247371 -1.4215725 0.0000000 C 3.6934864 -3.5541612 0.0000000 C -2.4627584 1.4218742 0.0000000 C 1.2309506 3.5542093 0.0000000 C -2.4625603 -2.8431392 0.0000000 C 4.9247371 1.4215725 0.0000000 C 1.2312507 -4.9757337 0.0000000 C 4.9249626 -2.8434285 0.0000000 C -1.2309506 3.5542093 0.0000000 C -3.6935109 -0.7110702 0.0000000 C 3.6934864 3.5541612 0.0000000 C -1.2312507 -4.9757337 0.0000000 C 6.1561827 -0.7104807 0.0000000 C 3.6933857 -4.9761702 0.0000000 C -2.4625603 2.8431392 0.0000000 C -3.6935109 0.7110702 0.0000000 C 4.9249626 2.8434285 0.0000000 C 0.0000000 -5.6868570 0.0000000 C 6.1561827 0.7104807 0.0000000 C 2.4627970 -5.6866509 0.0000000 C 1.2312507 4.9757337 0.0000000 C -3.6934864 -3.5541612 0.0000000 C 6.1560281 -3.5541845 0.0000000 C -1.2312507 4.9757337 0.0000000 C -4.9247371 -1.4215725 0.0000000 C 3.6933857 4.9761702 0.0000000 C -2.4627970 -5.6866509 0.0000000 C 7.3879300 -1.4217089 0.0000000 C 4.9252010 -5.6872806 0.0000000 C -3.6934864 3.5541612 0.0000000 C -4.9247371 1.4215725 0.0000000 C 0.0000000 5.6868570 0.0000000 C -4.9249626 -2.8434285 0.0000000 C 2.4627970 5.6866509 0.0000000 C -3.6933857 -4.9761702 0.0000000 C 6.1560281 3.5541845 0.0000000 C 0.0000000 -7.1083689 0.0000000 C 7.3879300 1.4217089 0.0000000 C 2.4627290 -7.1089895 0.0000000 C 7.3838950 -2.8413895 0.0000000 C 6.1526630 -4.9739459 0.0000000 C -4.9249626 2.8434285 0.0000000 C 7.3838950 2.8413895 0.0000000 C 1.2312320 -7.8153354 0.0000000 C -2.4627970 5.6866509 0.0000000 C -6.1561827 -0.7104807 0.0000000 C 4.9252010 5.6872806 0.0000000 C -2.4627290 -7.1089895 0.0000000 C 8.6161796 -0.7098188 0.0000000 C 4.9228109 -7.1069210 0.0000000 C -3.6933857 4.9761702 0.0000000 C -6.1561827 0.7104807 0.0000000 C 6.1526630 4.9739459 0.0000000 C -1.2312320 -7.8153354 0.0000000 C 8.6161796 0.7098188 0.0000000 C 3.6933687 -7.8167398 0.0000000 C 0.0000000 7.1083689 0.0000000 C -6.1560281 -3.5541845 0.0000000 C 2.4627290 7.1089895 0.0000000 C -4.9252010 -5.6872806 0.0000000 C -6.1560281 3.5541845 0.0000000 C 1.2312320 7.8153354 0.0000000 C -6.1526630 -4.9739459 0.0000000 C -2.4627290 7.1089895 0.0000000 C -7.3879300 -1.4217089 0.0000000 C 4.9228109 7.1069210 0.0000000 C -3.6933687 -7.8167398 0.0000000 C -4.9252010 5.6872806 0.0000000 C -7.3879300 1.4217089 0.0000000 C -1.2312320 7.8153354 0.0000000 C -7.3838950 -2.8413895 0.0000000 C 3.6933687 7.8167398 0.0000000 C -4.9228109 -7.1069210 0.0000000 C -6.1526630 4.9739459 0.0000000 C -7.3838950 2.8413895 0.0000000 C -3.6933687 7.8167398 0.0000000 C -8.6161796 -0.7098188 0.0000000 C -4.9228109 7.1069210 0.0000000 C -8.6161796 0.7098188 0.0000000 H 8.2775106 -3.3576006 0.0000000 H 7.0465227 -5.4897342 0.0000000 H 8.2775106 3.3576006 0.0000000 H 1.2309879 -8.8473348 0.0000000 H 9.5103552 -1.2250690 0.0000000 H 5.8161185 -7.6236747 0.0000000 H 7.0465227 5.4897342 0.0000000 H -1.2309879 -8.8473348 0.0000000 H 9.5103552 1.2250690 0.0000000 H 3.6942367 -8.8487437 0.0000000 H 1.2309879 8.8473348 0.0000000 H -7.0465227 -5.4897342 0.0000000 H 5.8161185 7.6236747 0.0000000 H -3.6942367 -8.8487437 0.0000000 H -1.2309879 8.8473348 0.0000000 H -8.2775106 -3.3576006 0.0000000 H 3.6942367 8.8487437 0.0000000 H -5.8161185 -7.6236747 0.0000000 H -7.0465227 5.4897342 0.0000000 H -8.2775106 3.3576006 0.0000000 H -3.6942367 8.8487437 0.0000000 H -9.5103552 -1.2250690 0.0000000 H -5.8161185 7.6236747 0.0000000 H -9.5103552 1.2250690 0.0000000 C 1.2311085 -0.7107808 3.8 C 1.2311085 0.7107808 3.8 C 0.0000000 -1.4215617 3.8 C 2.4627584 -1.4218742 3.8 C 0.0000000 1.4215617 3.8 C -1.2311085 -0.7107808 3.8 C 2.4627584 1.4218742 3.8 C 0.0000000 -2.8437485 3.8 C 3.6935109 -0.7110702 3.8 C 2.4625603 -2.8431392 3.8 C 3.6935109 0.7110702 3.8 C -1.2311085 0.7107808 3.8 C 1.2309506 -3.5542093 3.8 C 0.0000000 2.8437485 3.8 C -2.4627584 -1.4218742 3.8 C 2.4625603 2.8431392 3.8 C -1.2309506 -3.5542093 3.8 C 4.9247371 -1.4215725 3.8 C 3.6934864 -3.5541612 3.8 C -2.4627584 1.4218742 3.8 C 1.2309506 3.5542093 3.8 C -2.4625603 -2.8431392 3.8 C 4.9247371 1.4215725 3.8 C 1.2312507 -4.9757337 3.8 C 4.9249626 -2.8434285 3.8 C -1.2309506 3.5542093 3.8 C -3.6935109 -0.7110702 3.8 C 3.6934864 3.5541612 3.8 C -1.2312507 -4.9757337 3.8 C 6.1561827 -0.7104807 3.8 C 3.6933857 -4.9761702 3.8 C -2.4625603 2.8431392 3.8 C -3.6935109 0.7110702 3.8 C 4.9249626 2.8434285 3.8 C 0.0000000 -5.6868570 3.8 C 6.1561827 0.7104807 3.8 C 2.4627970 -5.6866509 3.8 C 1.2312507 4.9757337 3.8 C -3.6934864 -3.5541612 3.8 C 6.1560281 -3.5541845 3.8 C -1.2312507 4.9757337 3.8 C -4.9247371 -1.4215725 3.8 C 3.6933857 4.9761702 3.8 C -2.4627970 -5.6866509 3.8 C 7.3879300 -1.4217089 3.8 C 4.9252010 -5.6872806 3.8 C -3.6934864 3.5541612 3.8 C -4.9247371 1.4215725 3.8 C 0.0000000 5.6868570 3.8 C -4.9249626 -2.8434285 3.8 C 2.4627970 5.6866509 3.8 C -3.6933857 -4.9761702 3.8 C 6.1560281 3.5541845 3.8 C 0.0000000 -7.1083689 3.8 C 7.3879300 1.4217089 3.8 C 2.4627290 -7.1089895 3.8 C 7.3838950 -2.8413895 3.8 C 6.1526630 -4.9739459 3.8 C -4.9249626 2.8434285 3.8 C 7.3838950 2.8413895 3.8 C 1.2312320 -7.8153354 3.8 C -2.4627970 5.6866509 3.8 C -6.1561827 -0.7104807 3.8 C 4.9252010 5.6872806 3.8 C -2.4627290 -7.1089895 3.8 C 8.6161796 -0.7098188 3.8 C 4.9228109 -7.1069210 3.8 C -3.6933857 4.9761702 3.8 C -6.1561827 0.7104807 3.8 C 6.1526630 4.9739459 3.8 C -1.2312320 -7.8153354 3.8 C 8.6161796 0.7098188 3.8 C 3.6933687 -7.8167398 3.8 C 0.0000000 7.1083689 3.8 C -6.1560281 -3.5541845 3.8 C 2.4627290 7.1089895 3.8 C -4.9252010 -5.6872806 3.8 C -6.1560281 3.5541845 3.8 C 1.2312320 7.8153354 3.8 C -6.1526630 -4.9739459 3.8 C -2.4627290 7.1089895 3.8 C -7.3879300 -1.4217089 3.8 C 4.9228109 7.1069210 3.8 C -3.6933687 -7.8167398 3.8 C -4.9252010 5.6872806 3.8 C -7.3879300 1.4217089 3.8 C -1.2312320 7.8153354 3.8 C -7.3838950 -2.8413895 3.8 C 3.6933687 7.8167398 3.8 C -4.9228109 -7.1069210 3.8 C -6.1526630 4.9739459 3.8 C -7.3838950 2.8413895 3.8 C -3.6933687 7.8167398 3.8 C -8.6161796 -0.7098188 3.8 C -4.9228109 7.1069210 3.8 C -8.6161796 0.7098188 3.8 H 8.2775106 -3.3576006 3.8 H 7.0465227 -5.4897342 3.8 H 8.2775106 3.3576006 3.8 H 1.2309879 -8.8473348 3.8 H 9.5103552 -1.2250690 3.8 H 5.8161185 -7.6236747 3.8 H 7.0465227 5.4897342 3.8 H -1.2309879 -8.8473348 3.8 H 9.5103552 1.2250690 3.8 H 3.6942367 -8.8487437 3.8 H 1.2309879 8.8473348 3.8 H -7.0465227 -5.4897342 3.8 H 5.8161185 7.6236747 3.8 H -3.6942367 -8.8487437 3.8 H -1.2309879 8.8473348 3.8 H -8.2775106 -3.3576006 3.8 H 3.6942367 8.8487437 3.8 H -5.8161185 -7.6236747 3.8 H -7.0465227 5.4897342 3.8 H -8.2775106 3.3576006 3.8 H -3.6942367 8.8487437 3.8 H -9.5103552 -1.2250690 3.8 H -5.8161185 7.6236747 3.8 H -9.5103552 1.2250690 3.8 62 C20 alkane C 4.18019 -0.44150 -3.21537 H 5.06049 -1.10271 -3.21148 H 3.2998899999999995 -1.10271 -3.21148 C 4.18019 0.39551 -4.50747 H 3.2998899999999995 1.05672 -4.51129 H 5.06049 1.05672 -4.51129 C 4.18019 -0.45646 -5.78975 H 3.2998799999999995 -1.11766 -5.78600 H 5.060499999999999 -1.11766 -5.78600 C 4.18019 0.38089 -7.08162 H 3.2998999999999996 1.04210 -7.08526 H 5.06048 1.04210 -7.08526 C 4.18019 -0.47066 -8.36421 H 3.29986 -1.13187 -8.36062 H 5.0605199999999995 -1.13187 -8.36062 C 4.18019 0.36681 -9.65587 H 3.2998799999999995 1.02817 -9.66047 H 5.060499999999999 1.02817 -9.66047 C 4.18019 -0.48418 -10.93922 H 5.05979 -1.14488 -10.93387 H 3.3005899999999997 -1.14488 -10.93387 C 4.18019 0.36062 -12.22337 H 4.18019 -0.27124 -13.11921 H 3.29465 1.00710 -12.26948 H 5.065729999999999 1.00710 -12.26948 C 4.18019 0.41070 -1.93324 H 3.2998899999999995 1.07191 -1.93717 H 5.06049 1.07191 -1.93717 C 4.18019 -0.42614 -0.64104 H 5.06049 -1.08735 -0.63709 H 3.2998899999999995 -1.08735 -0.63709 C 4.18019 0.42614 0.64104 H 3.2998899999999995 1.08735 0.63709 H 5.06049 1.08735 0.63709 C 4.18019 -0.41070 1.93324 H 5.06049 -1.07191 1.93717 H 3.2998899999999995 -1.07191 1.93717 C 4.18019 0.44150 3.21537 H 3.2998899999999995 1.10271 3.21148 H 5.06049 1.10271 3.21148 C 4.18019 -0.39551 4.50747 H 5.06049 -1.05672 4.51129 H 3.2998899999999995 -1.05672 4.51129 C 4.18019 0.45646 5.78975 H 3.2998799999999995 1.11766 5.78600 H 5.060499999999999 1.11766 5.78600 C 4.18019 -0.38089 7.08162 H 5.06048 -1.04210 7.08526 H 3.2998999999999996 -1.04210 7.08526 C 4.18019 0.47066 8.36421 H 3.29986 1.13187 8.36062 H 5.0605199999999995 1.13187 8.36062 C 4.18019 -0.36681 9.65587 H 5.060499999999999 -1.02817 9.66047 H 3.2998799999999995 -1.02817 9.66047 C 4.18019 0.48418 10.93922 H 3.3005899999999997 1.14488 10.93387 H 5.05979 1.14488 10.93387 C 4.18019 -0.36062 12.22337 H 5.065729999999999 -1.00710 12.26948 H 4.18019 0.27124 13.11921 H 3.29465 -1.00710 12.26948 92 C30 alkane C 4.18019 -0.40166 3.19756 H 5.06469 -1.06740 3.20087 H 3.2956899999999996 -1.06740 3.20087 C 4.18019 0.42894 1.91508 H 5.06471 1.09464 1.91159 H 3.2956699999999994 1.09464 1.91159 C 4.18019 -0.41514 0.64135 H 5.064699999999999 -1.08086 0.64492 H 3.2956799999999995 -1.08086 0.64492 C 4.18019 0.41514 -0.64135 H 5.064699999999999 1.08086 -0.64492 H 3.2956799999999995 1.08086 -0.64492 C 4.18019 -0.42894 -1.91508 H 3.2956699999999994 -1.09464 -1.91159 H 5.06471 -1.09464 -1.91159 C 4.18019 0.40166 -3.19756 H 5.06469 1.06740 -3.20087 H 3.2956899999999996 1.06740 -3.20087 C 4.18019 -0.44176 -4.47172 H 3.29566 -1.10745 -4.46866 H 5.0647199999999994 -1.10745 -4.46866 C 4.18019 0.38983 -5.75356 H 5.064679999999999 1.05559 -5.75628 H 3.2956999999999996 1.05559 -5.75628 C 4.18019 -0.45228 -7.02858 H 3.2956499999999997 -1.11796 -7.02628 H 5.06473 -1.11796 -7.02628 C 4.18019 0.38096 -8.30936 H 5.06467 1.04673 -8.31115 H 3.2957099999999997 1.04673 -8.31115 C 4.18019 -0.45921 -9.58567 H 3.2956399999999997 -1.12487 -9.58446 H 5.06474 -1.12487 -9.58446 C 4.18019 0.37632 -10.86496 H 5.06466 1.04210 -10.86547 H 3.2957199999999998 1.04210 -10.86547 C 4.18019 -0.46126 -12.14296 H 3.2956199999999995 -1.12690 -12.14317 H 5.06476 -1.12690 -12.14317 C 4.18019 0.37720 -13.42035 H 5.06467 1.04298 -13.41920 H 3.2957099999999997 1.04298 -13.41920 C 4.18019 -0.45716 -14.70048 H 3.2955599999999996 -1.12277 -14.70230 H 5.064819999999999 -1.12277 -14.70230 C 4.18019 0.38460 -15.97563 H 5.06475 1.05067 -15.97278 H 3.2956299999999996 1.05067 -15.97278 C 4.18019 -0.44540 -17.25940 H 3.2961899999999997 -1.11036 -17.26152 H 5.06419 -1.11036 -17.26152 C 4.18019 0.40732 -18.52573 H 5.07154 1.05870 -18.56552 H 3.2888399999999995 1.05870 -18.56552 H 4.18019 -0.21763 -19.43529 C 4.18019 0.44176 4.47172 H 3.29566 1.10745 4.46866 H 5.0647199999999994 1.10745 4.46866 C 4.18019 -0.38983 5.75356 H 5.064679999999999 -1.05559 5.75628 H 3.2956999999999996 -1.05559 5.75628 C 4.18019 0.45228 7.02858 H 3.2956499999999997 1.11796 7.02628 H 5.06473 1.11796 7.02628 C 4.18019 -0.38096 8.30936 H 5.06467 -1.04673 8.31115 H 3.2957099999999997 -1.04673 8.31115 C 4.18019 0.45921 9.58567 H 3.2956399999999997 1.12487 9.58446 H 5.06474 1.12487 9.58446 C 4.18019 -0.37632 10.86496 H 5.06466 -1.04210 10.86547 H 3.2957199999999998 -1.04210 10.86547 C 4.18019 0.46126 12.14296 H 3.2956199999999995 1.12690 12.14317 H 5.06476 1.12690 12.14317 C 4.18019 -0.37720 13.42035 H 5.06467 -1.04298 13.41920 H 3.2957099999999997 -1.04298 13.41920 C 4.18019 0.45716 14.70048 H 3.2955599999999996 1.12277 14.70230 H 5.064819999999999 1.12277 14.70230 C 4.18019 -0.38460 15.97563 H 5.06475 -1.05067 15.97278 H 3.2956299999999996 -1.05067 15.97278 C 4.18019 0.44540 17.25940 H 3.2961899999999997 1.11036 17.26152 H 5.06419 1.11036 17.26152 C 4.18019 -0.40732 18.52573 H 5.07154 -1.05870 18.56552 H 4.18019 0.21763 19.43529 H 3.2888399999999995 -1.05870 18.56552 122 C40 alkane C 4.18019 0.41087 -9.56940 H 5.06244 1.07622 -9.56253 H 3.2979399999999996 1.07622 -9.56253 C 4.18019 -0.41916 -8.27603 H 5.0615499999999995 -1.08535 -8.27238 H 3.2988299999999997 -1.08535 -8.27238 C 4.18019 0.42552 -7.00270 H 5.0629 1.09086 -7.00686 H 3.2974799999999997 1.09086 -7.00686 C 4.18019 -0.40412 -5.71960 H 5.06241 -1.07025 -5.71605 H 3.2979699999999994 -1.07025 -5.71605 C 4.18019 0.44060 -4.44630 H 3.29479 1.10656 -4.44966 H 5.065589999999999 1.10656 -4.44966 C 4.18019 -0.38934 -3.16339 H 5.06401 -1.05527 -3.16022 H 3.2963699999999996 -1.05527 -3.16022 C 4.18019 0.45475 -1.88967 H 3.2960499999999997 1.12049 -1.89250 H 5.06433 1.12049 -1.89250 C 4.18019 -0.37615 -0.60739 H 5.066 -1.04182 -0.60485 H 3.2943799999999994 -1.04182 -0.60485 C 4.18019 0.37615 0.60739 H 3.2943799999999994 1.04182 0.60485 H 5.066 1.04182 0.60485 C 4.18019 -0.45475 1.88967 H 5.06433 -1.12049 1.89250 H 3.2960499999999997 -1.12049 1.89250 C 4.18019 0.38934 3.16339 H 3.2963699999999996 1.05527 3.16022 H 5.06401 1.05527 3.16022 C 4.18019 -0.44060 4.44630 H 5.065589999999999 -1.10656 4.44966 H 3.29479 -1.10656 4.44966 C 4.18019 0.40412 5.71960 H 3.2979699999999994 1.07025 5.71605 H 5.06241 1.07025 5.71605 C 4.18019 -0.42552 7.00270 H 5.0629 -1.09086 7.00686 H 3.2974799999999997 -1.09086 7.00686 C 4.18019 0.41916 8.27603 H 3.2988299999999997 1.08535 8.27238 H 5.0615499999999995 1.08535 8.27238 C 4.18019 -0.41087 9.56940 H 5.06244 -1.07622 9.56253 H 3.2979399999999996 -1.07622 9.56253 C 4.18019 0.46547 10.89800 H 3.2991899999999994 1.12980 10.89929 H 5.06119 1.12980 10.89929 C 4.18019 -0.38655 12.16479 H 5.075469999999999 -1.03709 12.20819 H 3.2849099999999996 -1.03709 12.20819 C 4.18019 -0.46547 -10.89800 H 3.2991899999999994 -1.12980 -10.89929 H 5.06119 -1.12980 -10.89929 C 4.18019 0.38655 -12.16479 H 5.075469999999999 1.03709 -12.20819 H 3.2849099999999996 1.03709 -12.20819 C 4.18019 -0.44479 -13.38954 H 3.2933499999999998 -1.11037 -13.38716 H 5.06703 -1.11037 -13.38716 C 4.18019 0.38790 -14.67067 H 5.06265 1.05383 -14.67241 H 3.2977299999999996 1.05383 -14.67241 C 4.18019 -0.45280 -15.94663 H 3.2946899999999997 -1.11883 -15.94038 H 5.06569 -1.11883 -15.94038 C 4.18019 0.38218 -17.22627 H 5.06295 1.04857 -17.22921 H 3.2974299999999994 1.04857 -17.22921 C 4.18019 -0.45594 -18.50392 H 3.2961099999999997 -1.12241 -18.50407 H 5.06427 -1.12241 -18.50407 C 4.18019 0.38198 -19.78166 H 5.063199999999999 1.04881 -19.78299 H 3.2971799999999996 1.04881 -19.78299 C 4.18019 -0.45292 -21.06144 H 3.29723 -1.11973 -21.06318 H 5.063149999999999 -1.11973 -21.06318 C 4.18019 0.38830 -22.33695 H 5.063599999999999 1.05570 -22.33411 H 3.2967799999999996 1.05570 -22.33411 C 4.18019 -0.44225 -23.62036 H 3.2987399999999996 -1.10853 -23.62250 H 5.06164 -1.10853 -23.62250 C 4.18019 0.40994 -24.89205 H 5.07119 1.06277 -24.92661 H 4.18019 -0.21541 -25.79635 H 3.2891899999999996 1.06277 -24.92661 C 4.18019 0.44479 13.38954 H 3.2933499999999998 1.11037 13.38716 H 5.06703 1.11037 13.38716 C 4.18019 -0.38790 14.67067 H 5.06265 -1.05383 14.67241 H 3.2977299999999996 -1.05383 14.67241 C 4.18019 0.45280 15.94663 H 3.2946899999999997 1.11883 15.94038 H 5.06569 1.11883 15.94038 C 4.18019 -0.38218 17.22627 H 5.06295 -1.04857 17.22921 H 3.2974299999999994 -1.04857 17.22921 C 4.18019 0.45594 18.50392 H 3.2961099999999997 1.12241 18.50407 H 5.06427 1.12241 18.50407 C 4.18019 -0.38198 19.78166 H 5.063199999999999 -1.04881 19.78299 H 3.2971799999999996 -1.04881 19.78299 C 4.18019 0.45292 21.06144 H 3.29723 1.11973 21.06318 H 5.063149999999999 1.11973 21.06318 C 4.18019 -0.38830 22.33695 H 5.063599999999999 -1.05570 22.33411 H 3.2967799999999996 -1.05570 22.33411 C 4.18019 0.44225 23.62036 H 3.2987399999999996 1.10853 23.62250 H 5.06164 1.10853 23.62250 C 4.18019 -0.40994 24.89205 H 5.07119 -1.06277 24.92661 H 4.18019 0.21541 25.79635 H 3.2891899999999996 -1.06277 24.92661 152 C50 alkane C 4.18019 -0.40410 15.91988 H 5.06244 -1.06947 15.92427 H 3.2979399999999996 -1.06947 15.92427 C 4.18019 0.42445 14.63608 H 5.0615499999999995 1.09063 14.63166 H 3.2988299999999997 1.09063 14.63166 C 4.18019 -0.42169 13.38371 H 5.0629 -1.08701 13.36862 H 3.2974799999999997 -1.08701 13.36862 C 4.18019 0.40650 12.07967 H 5.06241 1.07263 12.07535 H 3.2979699999999994 1.07263 12.07535 C 4.18019 -0.43966 10.80732 H 3.29479 -1.10562 10.81144 H 5.065589999999999 -1.10562 10.81144 C 4.18019 0.38882 9.52347 H 5.06401 1.05475 9.51954 H 3.2963699999999996 1.05475 9.51954 C 4.18019 -0.45672 8.25072 H 3.2960499999999997 -1.12245 8.25430 H 5.06433 -1.12245 8.25430 C 4.18019 0.37272 6.96749 H 5.066 1.03839 6.96419 H 3.2943799999999994 1.03839 6.96419 C 4.18019 -0.38096 5.75357 H 3.2943799999999994 -1.04663 5.75686 H 5.066 -1.04663 5.75686 C 4.18019 0.44848 4.47034 H 5.06433 1.11421 4.46675 H 3.2960499999999997 1.11421 4.46675 C 4.18019 -0.39706 3.19758 H 3.2963699999999996 -1.06299 3.20151 H 5.06401 -1.06299 3.20151 C 4.18019 0.43142 1.91373 H 5.065589999999999 1.09738 1.90962 H 3.29479 1.09738 1.90962 C 4.18019 -0.41474 0.63139 H 3.2979699999999994 -1.08087 0.64570 H 5.06241 -1.08087 0.64570 C 4.18019 0.41344 -0.64266 H 5.0629 1.07877 -0.64757 H 3.2974799999999997 1.07877 -0.64757 C 4.18019 -0.43269 -1.91502 H 3.2988299999999997 -1.09888 -1.91061 H 5.0615499999999995 -1.09888 -1.91061 C 4.18019 0.39586 -3.19883 H 5.06244 1.06122 -3.20322 H 3.2979399999999996 1.06122 -3.20322 C 4.18019 -0.48198 -4.53693 H 3.2991899999999994 -1.14631 -4.53747 H 5.06119 -1.14631 -4.53747 C 4.18019 0.36860 -5.80470 H 5.075469999999999 1.01908 -5.84633 H 3.2849099999999996 1.01908 -5.84633 C 4.18019 0.47374 17.25799 H 3.2991899999999994 1.13807 17.25853 H 5.06119 1.13807 17.25853 C 4.18019 -0.37685 18.54575 H 5.075469999999999 -1.02732 18.56739 H 3.2849099999999996 -1.02732 18.56739 C 4.18019 0.45589 19.74955 H 3.2933499999999998 1.12147 19.74641 H 5.06703 1.12147 19.74641 C 4.18019 -0.37534 21.03163 H 5.06265 -1.04126 21.03412 H 3.2977299999999996 -1.04126 21.03412 C 4.18019 0.46681 22.32663 H 3.2946899999999997 1.13283 22.30463 H 5.06569 1.13283 22.30463 C 4.18019 -0.36671 23.58722 H 5.06295 -1.03309 23.58842 H 3.2974299999999994 -1.03309 23.58842 C 4.18019 0.47286 24.86392 H 3.2961099999999997 1.13934 24.86331 H 5.06427 1.13934 24.86331 C 4.18019 -0.36360 26.14261 H 5.063199999999999 -1.03043 26.14220 H 3.2971799999999996 -1.03043 26.14220 C 4.18019 0.47275 27.42144 H 3.29723 1.13956 27.42242 H 5.063149999999999 1.13956 27.42242 C 4.18019 -0.36702 28.69790 H 5.063599999999999 -1.03442 28.69582 H 3.2967799999999996 -1.03442 28.69582 C 4.18019 0.46499 29.98037 H 3.2987399999999996 1.13127 29.98175 H 5.06164 1.13127 29.98175 C 4.18019 -0.38575 31.24803 H 5.07119 -1.03854 31.28833 H 4.18019 0.24062 32.15662 H 3.2891899999999996 -1.03854 31.28833 C 4.18019 -0.46413 -7.02850 H 3.2933499999999998 -1.12972 -7.02536 H 5.06703 -1.12972 -7.02536 C 4.18019 0.36709 -8.31058 H 5.06265 1.03302 -8.31307 H 3.2977299999999996 1.03302 -8.31307 C 4.18019 -0.47506 -9.58557 H 3.2946899999999997 -1.14107 -9.58358 H 5.06569 -1.14107 -9.58358 C 4.18019 0.35847 -10.86617 H 5.06295 1.02485 -10.86737 H 3.2974299999999994 1.02485 -10.86737 C 4.18019 -0.48110 -12.14287 H 3.2961099999999997 -1.14758 -12.14226 H 5.06427 -1.14758 -12.14226 C 4.18019 0.35536 -13.42155 H 5.063199999999999 1.02219 -13.42115 H 3.2971799999999996 1.02219 -13.42115 C 4.18019 -0.48099 -14.70039 H 3.29723 -1.14780 -14.71137 H 5.063149999999999 -1.14780 -14.71137 C 4.18019 0.35878 -15.97685 H 5.063599999999999 1.02618 -15.97477 H 3.2967799999999996 1.02618 -15.97477 C 4.18019 -0.47323 -17.25932 H 3.2987399999999996 -1.13951 -17.26070 H 5.06164 -1.13951 -17.26070 C 4.18019 0.37751 -18.52698 H 5.07119 1.03030 -18.56728 H 3.2891899999999996 1.03030 -18.56728 C 4.18019 -0.49658 -19.79488 H 3.3065399999999996 -1.11430 -19.80224 H 5.053839999999999 -1.11430 -19.80224 C 4.18019 0.40745 -21.04161 H 3.3065399999999996 1.02517 -21.03425 H 5.053839999999999 1.02517 -21.03425 C 4.18019 -0.46663 -22.30951 H 3.3065399999999996 -1.08435 -22.31687 H 5.053839999999999 -1.08435 -22.31687 C 4.18019 0.43740 -23.55624 H 5.053839999999999 1.05512 -23.54888 H 3.3065399999999996 1.05512 -23.54888 C 4.18019 -0.43668 -24.82414 H 3.3065399999999996 -1.05440 -24.83150 H 5.053839999999999 -1.05440 -24.83150 C 4.18019 0.46735 -26.07087 H 5.053839999999999 1.08507 -26.06351 H 3.3065399999999996 1.08507 -26.06351 C 4.18019 -0.40674 -27.33877 H 3.3065399999999996 -1.02446 -27.34613 H 5.053839999999999 -1.02446 -27.34613 C 4.18019 0.49729 -28.58550 H 5.053839999999999 1.11501 -28.57814 H 3.3065399999999996 1.11501 -28.57814 C 4.18019 -0.37679 -29.85340 H 3.3065399999999996 -0.99451 -29.86076 H 5.053839999999999 -0.99451 -29.86076 C 4.18019 0.52724 -31.10013 H 5.053839999999999 1.14496 -31.09277 H 4.18019 -0.08008 -31.98108 H 3.3065399999999996 1.14496 -31.09277 182 C60 alkane C 0.00000 0.41592 -22.28155 H 0.88279 1.08127 -22.28563 H -0.88279 1.08127 -22.28563 C 0.00000 -0.41306 -20.99802 H 0.88174 -1.07926 -20.99373 H -0.88174 -1.07926 -20.99373 C 0.00000 0.43265 -19.72537 H 0.88299 1.09797 -19.72997 H -0.88299 1.09797 -19.72997 C 0.00000 -0.39595 -18.45160 H 0.88233 -1.06210 -18.43741 H -0.88233 -1.06210 -18.43741 C 0.00000 0.44979 -17.16898 H -0.88538 1.11577 -17.17296 H 0.88538 1.11577 -17.17296 C 0.00000 -0.37911 -15.88540 H 0.88367 -1.04506 -15.88160 H -0.88367 -1.04506 -15.88160 C 0.00000 0.46601 -14.61237 H -0.88439 1.13176 -14.61582 H 0.88439 1.13176 -14.61582 C 0.00000 -0.36386 -13.32941 H 0.88539 -1.02954 -13.32624 H -0.88539 -1.02954 -13.32624 C 0.00000 0.38942 -12.11524 H -0.88631 1.05510 -12.11841 H 0.88631 1.05510 -12.11841 C 0.00000 -0.44044 -10.83228 H 0.88347 -1.10619 -10.82883 H -0.88347 -1.10619 -10.82883 C 0.00000 0.40468 -9.55925 H -0.88459 1.07062 -9.56305 H 0.88459 1.07062 -9.56305 C 0.00000 -0.42422 -8.28567 H 0.88446 -1.09020 -8.27169 H -0.88446 -1.09020 -8.27169 C 0.00000 0.42152 -7.00305 H -0.88325 1.08766 -7.00724 H 0.88325 1.08766 -7.00724 C 0.00000 -0.40874 -5.71928 H 0.88277 -1.07488 -5.72009 H -0.88277 -1.07488 -5.72009 C 0.00000 0.43701 -4.44665 H -0.88494 1.10298 -4.45064 H 0.88494 1.10298 -4.45064 C 0.00000 -0.39189 -3.16308 H 0.88410 -1.05784 -3.15927 H -0.88410 -1.05784 -3.15927 C 0.00000 0.45323 -1.89004 H -0.88395 1.11897 -1.89350 H 0.88395 1.11897 -1.89350 C 0.00000 -0.37664 -0.60709 H 0.88584 -1.04234 -0.60893 H -0.88584 -1.04234 -0.60893 C 0.00000 -0.46148 -23.61994 H -0.88036 -1.12579 -23.62079 H 0.88036 -1.12579 -23.62079 C 0.00000 0.38951 -24.88742 H 0.89610 1.04000 -24.92876 H -0.89610 1.04000 -24.92876 C 0.00000 -0.44281 -26.11150 H -0.88595 -1.10838 -26.10867 H 0.88595 -1.10838 -26.10867 C 0.00000 0.38884 -27.39331 H 0.88354 1.05475 -27.39549 H -0.88354 1.05475 -27.39549 C 0.00000 -0.45289 -28.66858 H -0.88434 -1.11889 -28.66689 H 0.88434 -1.11889 -28.66689 C 0.00000 0.38106 -29.95890 H 0.88409 1.04742 -29.94979 H -0.88409 1.04742 -29.94979 C 0.00000 -0.45809 -31.22587 H -0.88266 -1.12455 -31.22558 H 0.88266 -1.12455 -31.22558 C 0.00000 0.37879 -32.50429 H 0.88460 1.04560 -32.50357 H -0.88460 1.04560 -32.50357 C 0.00000 -0.45714 -33.78339 H -0.88127 -1.12393 -33.78469 H 0.88127 -1.12393 -33.78469 C 0.00000 0.38305 -35.05958 H 0.88527 1.05044 -35.05719 H -0.88527 1.05044 -35.05719 C 0.00000 -0.44853 -36.34232 H -0.87949 -1.11480 -36.34901 H 0.87949 -1.11480 -36.34901 C 0.00000 0.40262 -37.60970 H 0.89313 1.05541 -37.64970 H 0.00000 -0.22345 -38.51849 H -0.89313 1.05541 -37.64970 C 0.00000 0.37664 0.60709 H -0.88584 1.04234 0.60893 H 0.88584 1.04234 0.60893 C 0.00000 -0.45323 1.89004 H 0.88395 -1.11897 1.89350 H -0.88395 -1.11897 1.89350 C 0.00000 0.39189 3.16308 H -0.88410 1.05784 3.15927 H 0.88410 1.05784 3.15927 C 0.00000 -0.43701 4.44665 H 0.88494 -1.10298 4.45064 H -0.88494 -1.10298 4.45064 C 0.00000 0.40874 5.71928 H -0.88277 1.07488 5.72009 H 0.88277 1.07488 5.72009 C 0.00000 -0.42152 7.00305 H 0.88325 -1.08766 7.00724 H -0.88325 -1.08766 7.00724 C 0.00000 0.42422 8.28567 H -0.88446 1.09020 8.27169 H 0.88446 1.09020 8.27169 C 0.00000 -0.40468 9.55925 H 0.88459 -1.07062 9.56305 H -0.88459 -1.07062 9.56305 C 0.00000 0.44044 10.83228 H -0.88347 1.10619 10.82883 H 0.88347 1.10619 10.82883 C 0.00000 -0.38942 12.11524 H 0.88631 -1.05510 12.11841 H -0.88631 -1.05510 12.11841 C 0.00000 0.36386 13.32941 H -0.88539 1.02954 13.32624 H 0.88539 1.02954 13.32624 C 0.00000 -0.46601 14.61237 H -0.88439 -1.13176 14.61582 H 0.88439 -1.13176 14.61582 C 0.00000 0.37911 15.88540 H -0.88367 1.04506 15.88160 H 0.88367 1.04506 15.88160 C 0.00000 -0.44979 17.16898 H 0.88538 -1.11577 17.17296 H -0.88538 -1.11577 17.17296 C 0.00000 0.39595 18.45160 H -0.88233 1.06210 18.43741 H 0.88233 1.06210 18.43741 C 0.00000 -0.43265 19.72537 H 0.88299 -1.09797 19.72997 H -0.88299 -1.09797 19.72997 C 0.00000 0.41306 20.99802 H -0.88174 1.07926 20.99373 H 0.88174 1.07926 20.99373 C 0.00000 -0.41592 22.28155 H 0.88279 -1.08127 22.28563 H -0.88279 -1.08127 22.28563 C 0.00000 0.46148 23.61994 H -0.88036 1.12579 23.62079 H 0.88036 1.12579 23.62079 C 0.00000 -0.38951 24.88742 H 0.89610 -1.04000 24.92876 H -0.89610 -1.04000 24.92876 C 0.00000 0.44281 26.11150 H -0.88595 1.10838 26.10867 H 0.88595 1.10838 26.10867 C 0.00000 -0.38884 27.39331 H -0.88354 -1.05475 27.39549 H 0.88354 -1.05475 27.39549 C 0.00000 0.45289 28.66858 H -0.88434 1.11889 28.66689 H 0.88434 1.11889 28.66689 C 0.00000 -0.38106 29.95890 H 0.88409 -1.04742 29.94979 H -0.88409 -1.04742 29.94979 C 0.00000 0.45809 31.22587 H -0.88266 1.12455 31.22558 H 0.88266 1.12455 31.22558 C 0.00000 -0.37879 32.50429 H 0.88460 -1.04560 32.50357 H -0.88460 -1.04560 32.50357 C 0.00000 0.45714 33.78339 H -0.88127 1.12393 33.78469 H 0.88127 1.12393 33.78469 C 0.00000 -0.38305 35.05958 H 0.88527 -1.05044 35.05719 H -0.88527 -1.05044 35.05719 C 0.00000 0.44853 36.34232 H -0.87949 1.11480 36.34901 H 0.87949 1.11480 36.34901 C 0.00000 -0.40262 37.60970 H 0.89313 -1.05541 37.64970 H 0.00000 0.22345 38.51849 H -0.89313 -1.05541 37.64970 212 C70 alkane C 4.18019 0.41587 -28.64281 H 5.06286 1.08128 -28.64704 H 3.2975199999999996 1.08128 -28.64704 C 4.18019 -0.41281 -27.35909 H 5.06194 -1.07896 -27.35466 H 3.2984399999999994 -1.07896 -27.35466 C 4.18019 0.43318 -26.08663 H 5.06307 1.09855 -26.09139 H 3.2973099999999995 1.09855 -26.09139 C 4.18019 -0.39513 -24.81268 H 5.06255 -1.06122 -24.79834 H 3.2978299999999994 -1.06122 -24.79834 C 4.18019 0.45090 -23.53024 H 3.2947099999999994 1.11682 -23.53437 H 5.06567 1.11682 -23.53437 C 4.18019 -0.37772 -22.24648 H 5.06389 -1.04361 -22.24253 H 3.2964899999999995 -1.04361 -22.24253 C 4.18019 0.46769 -20.97363 H 3.2957199999999998 1.13338 -20.97724 H 5.06466 1.13338 -20.97724 C 4.18019 -0.36189 -19.69049 H 5.06563 -1.02752 -19.68718 H 3.2947499999999996 -1.02752 -19.68718 C 4.18019 0.39166 -18.47649 H 3.2937999999999996 1.05729 -18.47980 H 5.06658 1.05729 -18.47980 C 4.18019 -0.43792 -17.19335 H 5.06372 -1.10361 -17.19475 H 3.2966599999999997 -1.10361 -17.19475 C 4.18019 0.40749 -15.92050 H 3.2955399999999995 1.07338 -15.92445 H 5.064839999999999 1.07338 -15.92445 C 4.18019 -0.42112 -14.63674 H 5.0647199999999994 -1.08704 -14.63261 H 3.29566 -1.08704 -14.63261 C 4.18019 0.42491 -13.36431 H 3.2968899999999994 1.09099 -13.36864 H 5.06349 1.09099 -13.36864 C 4.18019 -0.40506 -12.08035 H 5.06305 -1.07115 -12.07602 H 3.2973299999999997 -1.07115 -12.07602 C 4.18019 0.44097 -10.80792 H 3.2952099999999995 1.10689 -10.81205 H 5.065169999999999 1.10689 -10.81205 C 4.18019 -0.38764 -9.52415 H 5.0643899999999995 -1.05353 -9.52520 H 3.2959899999999998 -1.05353 -9.52520 C 4.18019 0.45776 -8.25131 H 3.2962099999999994 1.12346 -8.25491 H 5.06417 1.12346 -8.25491 C 4.18019 -0.37181 -6.96816 H 5.066129999999999 -1.03744 -6.96485 H 3.29425 -1.03744 -6.96485 C 4.18019 -0.46182 -29.98100 H 3.2998399999999997 -1.12619 -29.98170 H 5.06054 -1.12619 -29.98170 C 4.18019 0.38889 -31.24868 H 5.07616 1.03941 -31.29016 H 3.2842199999999995 1.03941 -31.29016 C 4.18019 -0.44371 -32.47257 H 3.2942399999999994 -1.10933 -32.46958 H 5.06614 -1.10933 -32.46958 C 4.18019 0.38765 -33.75456 H 5.06358 1.05361 -33.75689 H 3.2967999999999997 1.05361 -33.75689 C 4.18019 -0.45437 -35.02964 H 3.2958299999999996 -1.12042 -35.02780 H 5.06455 -1.12042 -35.02780 C 4.18019 0.37929 -36.31015 H 5.06413 1.04571 -36.31119 H 3.2962499999999997 1.04571 -36.31119 C 4.18019 -0.46014 -37.58693 H 3.2974999999999994 -1.12666 -37.59148 H 5.06288 -1.12666 -37.59148 C 4.18019 0.37645 -38.86553 H 5.06462 1.04332 -38.86497 H 3.2957599999999996 1.04332 -38.86497 C 4.18019 -0.45977 -40.14445 H 3.2988799999999996 -1.12661 -40.14560 H 5.0615 -1.12661 -40.14560 C 4.18019 0.38014 -41.42083 H 5.06528 1.04758 -41.41859 H 3.2950999999999997 1.04758 -41.41859 C 4.18019 -0.45173 -42.71338 H 3.3006399999999996 -1.11805 -42.70492 H 5.05974 -1.11805 -42.70492 C 4.18019 0.39914 -43.97096 H 5.07313 1.05198 -44.01110 H 4.18019 -0.22714 -44.87961 H 3.28725 1.05198 -44.01110 C 4.18019 0.38174 -5.75416 H 3.2943499999999997 1.04737 -5.75748 H 5.06603 1.04737 -5.75748 C 4.18019 -0.44784 -4.47102 H 5.06426 -1.11353 -4.46742 H 3.2961199999999997 -1.11353 -4.46742 C 4.18019 0.39757 -3.19818 H 3.2960899999999995 1.06346 -3.20212 H 5.06429 1.06346 -3.20212 C 4.18019 -0.43105 -1.91441 H 5.06527 -1.09697 -1.91028 H 3.2951099999999998 -1.09697 -1.91028 C 4.18019 0.41498 -0.64198 H 3.2974299999999994 1.08107 -0.64631 H 5.06295 1.08107 -0.64631 C 4.18019 -0.41498 0.64198 H 5.06295 -1.08107 0.64631 H 3.2974299999999994 -1.08107 0.64631 C 4.18019 0.43105 1.91441 H 3.2951099999999998 1.09697 1.91028 H 5.06527 1.09697 1.91028 C 4.18019 -0.39757 3.19818 H 5.06429 -1.06346 3.20212 H 3.2960899999999995 -1.06346 3.20212 C 4.18019 0.44784 4.47102 H 3.2961199999999997 1.11353 4.46742 H 5.06426 1.11353 4.46742 C 4.18019 -0.38174 5.75416 H 5.06603 -1.04737 5.75748 H 3.2943499999999997 -1.04737 5.75748 C 4.18019 0.37181 6.96816 H 3.29425 1.03744 6.96485 H 5.066129999999999 1.03744 6.96485 C 4.18019 -0.45776 8.25131 H 3.2962099999999994 -1.12346 8.25491 H 5.06417 -1.12346 8.25491 C 4.18019 0.38764 9.52415 H 3.2959899999999998 1.05353 9.52520 H 5.0643899999999995 1.05353 9.52520 C 4.18019 -0.44097 10.80792 H 5.065169999999999 -1.10689 10.81205 H 3.2952099999999995 -1.10689 10.81205 C 4.18019 0.40506 12.08035 H 3.2973299999999997 1.07115 12.07602 H 5.06305 1.07115 12.07602 C 4.18019 -0.42491 13.36431 H 5.06349 -1.09099 13.36864 H 3.2968899999999994 -1.09099 13.36864 C 4.18019 0.42112 14.63674 H 3.29566 1.08704 14.63261 H 5.0647199999999994 1.08704 14.63261 C 4.18019 -0.40749 15.92050 H 5.064839999999999 -1.07338 15.92445 H 3.2955399999999995 -1.07338 15.92445 C 4.18019 0.43792 17.19335 H 3.2966599999999997 1.10361 17.19475 H 5.06372 1.10361 17.19475 C 4.18019 -0.39166 18.47649 H 5.06658 -1.05729 18.47980 H 3.2937999999999996 -1.05729 18.47980 C 4.18019 0.36189 19.69049 H 3.2947499999999996 1.02752 19.68718 H 5.06563 1.02752 19.68718 C 4.18019 -0.46769 20.97363 H 3.2957199999999998 -1.13338 20.97724 H 5.06466 -1.13338 20.97724 C 4.18019 0.37772 22.24648 H 3.2964899999999995 1.04361 22.24253 H 5.06389 1.04361 22.24253 C 4.18019 -0.45090 23.53024 H 5.06567 -1.11682 23.53437 H 3.2947099999999994 -1.11682 23.53437 C 4.18019 0.39513 24.81268 H 3.2978299999999994 1.06122 24.79834 H 5.06255 1.06122 24.79834 C 4.18019 -0.43318 26.08663 H 5.06307 -1.09855 26.09139 H 3.2973099999999995 -1.09855 26.09139 C 4.18019 0.41281 27.35909 H 3.2984399999999994 1.07896 27.35466 H 5.06194 1.07896 27.35466 C 4.18019 -0.41587 28.64281 H 5.06286 -1.08128 28.64704 H 3.2975199999999996 -1.08128 28.64704 C 4.18019 0.46182 29.98100 H 3.2998399999999997 1.12619 29.98170 H 5.06054 1.12619 29.98170 C 4.18019 -0.38889 31.24868 H 5.07616 -1.03941 31.29016 H 3.2842199999999995 -1.03941 31.29016 C 4.18019 0.44371 32.47257 H 3.2942399999999994 1.10933 32.46958 H 5.06614 1.10933 32.46958 C 4.18019 -0.38765 33.75456 H 5.06358 -1.05361 33.75689 H 3.2967999999999997 -1.05361 33.75689 C 4.18019 0.45437 35.02964 H 3.2958299999999996 1.12042 35.02780 H 5.06455 1.12042 35.02780 C 4.18019 -0.37929 36.31015 H 5.06413 -1.04571 36.31119 H 3.2962499999999997 -1.04571 36.31119 C 4.18019 0.46014 37.58693 H 3.2974999999999994 1.12666 37.59148 H 5.06288 1.12666 37.59148 C 4.18019 -0.37645 38.86553 H 5.06462 -1.04332 38.86497 H 3.2957599999999996 -1.04332 38.86497 C 4.18019 0.45977 40.14445 H 3.2988799999999996 1.12661 40.14560 H 5.0615 1.12661 40.14560 C 4.18019 -0.38014 41.42083 H 5.06528 -1.04758 41.41859 H 3.2950999999999997 -1.04758 41.41859 C 4.18019 0.45173 42.71338 H 3.3006399999999996 1.11805 42.70492 H 5.05974 1.11805 42.70492 C 4.18019 -0.39914 43.97096 H 5.07313 -1.05198 44.01110 H 4.18019 0.22714 44.87961 H 3.28725 -1.05198 44.01110 242 C80 alkane C 0.00000 -0.41526 35.00404 H 0.88149 -1.08114 35.00841 H -0.88149 -1.08114 35.00841 C 0.00000 0.41322 33.72018 H 0.88179 1.07889 33.71568 H -0.88179 1.07889 33.71568 C 0.00000 -0.43297 32.44786 H 0.88178 -1.09882 32.45776 H -0.88178 -1.09882 32.45776 C 0.00000 0.39514 31.16378 H 0.88248 1.06075 31.15937 H -0.88248 1.06075 31.15937 C 0.00000 -0.45109 29.89148 H -0.88649 -1.11653 29.89568 H 0.88649 -1.11653 29.89568 C 0.00000 0.37732 28.60758 H 0.88391 1.04273 28.60356 H -0.88391 1.04273 28.60356 C 0.00000 -0.46829 27.33487 H -0.88541 -1.13350 27.33855 H 0.88541 -1.13350 27.33855 C 0.00000 0.36108 26.05160 H 0.88573 1.02623 26.04821 H -0.88573 1.02623 26.04821 C 0.00000 -0.39266 24.83772 H -0.88718 -1.05781 24.84111 H 0.88718 -1.05781 24.84111 C 0.00000 0.43671 23.55444 H 0.88395 1.10192 23.55077 H -0.88395 1.10192 23.55077 C 0.00000 -0.40890 22.28173 H -0.88536 -1.07431 22.28575 H 0.88536 -1.07431 22.28575 C 0.00000 0.41951 20.99784 H 0.88504 1.08495 20.99363 H -0.88504 1.08495 20.99363 C 0.00000 -0.42672 19.72554 H -0.88393 -1.09233 19.72995 H 0.88393 -1.09233 19.72995 C 0.00000 0.40304 18.44145 H 0.88345 1.06864 18.43704 H -0.88345 1.06864 18.43704 C 0.00000 -0.44320 17.16915 H -0.88553 -1.10864 17.17335 H 0.88553 -1.10864 17.17335 C 0.00000 0.38521 15.88526 H 0.88487 1.05062 15.88123 H -0.88487 1.05062 15.88123 C 0.00000 -0.46040 14.61254 H -0.88444 -1.12561 14.62122 H 0.88444 -1.12561 14.62122 C 0.00000 0.36898 13.32927 H 0.88670 1.03412 13.32588 H -0.88670 1.03412 13.32588 C 0.00000 0.46265 36.34209 H -0.88038 1.12750 36.34265 H 0.88038 1.12750 36.34265 C 0.00000 -0.38786 37.61990 H 0.89471 -1.03886 37.65152 H -0.89471 -1.03886 37.65152 C 0.00000 0.44494 38.83366 H -0.88608 1.11104 38.83054 H 0.88608 1.11104 38.83054 C 0.00000 -0.38622 40.11578 H 0.88204 -1.05266 40.11826 H -0.88204 -1.05266 40.11826 C 0.00000 0.45601 41.39073 H -0.88458 1.12254 41.39375 H 0.88458 1.12254 41.39375 C 0.00000 -0.37745 42.67137 H 0.88250 -1.04435 42.67255 H -0.88250 -1.04435 42.67255 C 0.00000 0.46219 43.94802 H -0.88299 1.12918 43.94744 H 0.88299 1.12918 43.94744 C 0.00000 -0.37421 45.22676 H 0.88290 -1.04155 45.22633 H -0.88290 -1.04155 45.22633 C 0.00000 0.46222 46.50555 H -0.88172 1.12954 46.50655 H 0.88172 1.12954 46.50655 C 0.00000 -0.37749 47.78206 H 0.88346 -1.04541 47.77995 H -0.88346 -1.04541 47.77995 C 0.00000 0.45459 49.06448 H -0.88005 1.12139 49.06588 H 0.88005 1.12139 49.06588 C 0.00000 -0.39608 50.33218 H 0.89121 -1.04939 50.37247 H 0.00000 0.23034 51.24073 H -0.89121 -1.04939 50.37247 C 0.00000 -0.38477 12.11539 H -0.88617 -1.04992 12.11878 H 0.88617 -1.04992 12.11878 C 0.00000 0.44460 10.83211 H 0.88496 1.10982 10.82844 H -0.88496 1.10982 10.82844 C 0.00000 -0.40101 9.55940 H -0.88435 -1.06642 9.56343 H 0.88435 -1.06642 9.56343 C 0.00000 0.42740 8.27551 H 0.88605 1.09284 8.27130 H -0.88605 1.09284 8.27130 C 0.00000 -0.41883 7.00321 H -0.88292 -1.08444 7.00762 H 0.88292 -1.08444 7.00762 C 0.00000 0.41093 5.71912 H 0.88382 1.07654 5.71971 H -0.88382 1.07654 5.71971 C 0.00000 -0.43530 4.44682 H -0.88515 -1.10074 4.45102 H 0.88515 -1.10074 4.45102 C 0.00000 0.39311 3.16293 H 0.88525 1.05852 3.15890 H -0.88525 1.05852 3.15890 C 0.00000 -0.45250 1.89021 H -0.88407 -1.11771 1.89389 H 0.88407 -1.11771 1.89389 C 0.00000 0.37687 0.60694 H 0.88707 1.04202 0.60355 H -0.88707 1.04202 0.60355 C 0.00000 -0.37687 -0.60694 H -0.88707 -1.04202 -0.60355 H 0.88707 -1.04202 -0.60355 C 0.00000 0.45250 -1.89021 H -0.88407 1.11771 -1.89389 H 0.88407 1.11771 -1.89389 C 0.00000 -0.39311 -3.16293 H -0.88525 -1.05852 -3.15890 H 0.88525 -1.05852 -3.15890 C 0.00000 0.43530 -4.44682 H 0.88515 1.10074 -4.45102 H -0.88515 1.10074 -4.45102 C 0.00000 -0.41093 -5.71912 H -0.88382 -1.07654 -5.71971 H 0.88382 -1.07654 -5.71971 C 0.00000 0.41883 -7.00321 H 0.88292 1.08444 -7.00762 H -0.88292 1.08444 -7.00762 C 0.00000 -0.42740 -8.27551 H -0.88605 -1.09284 -8.27130 H 0.88605 -1.09284 -8.27130 C 0.00000 0.40101 -9.55940 H 0.88435 1.06642 -9.56343 H -0.88435 1.06642 -9.56343 C 0.00000 -0.44460 -10.83211 H -0.88496 -1.10982 -10.82844 H 0.88496 -1.10982 -10.82844 C 0.00000 0.38477 -12.11539 H 0.88617 1.04992 -12.11878 H -0.88617 1.04992 -12.11878 C 0.00000 -0.36898 -13.32927 H -0.88670 -1.03412 -13.32588 H 0.88670 -1.03412 -13.32588 C 0.00000 0.46040 -14.61254 H -0.88444 1.12561 -14.62122 H 0.88444 1.12561 -14.62122 C 0.00000 -0.38521 -15.88526 H -0.88487 -1.05062 -15.88123 H 0.88487 -1.05062 -15.88123 C 0.00000 0.44320 -17.16915 H 0.88553 1.10864 -17.17335 H -0.88553 1.10864 -17.17335 C 0.00000 -0.40304 -18.44145 H -0.88345 -1.06864 -18.43704 H 0.88345 -1.06864 -18.43704 C 0.00000 0.42672 -19.72554 H 0.88393 1.09233 -19.72995 H -0.88393 1.09233 -19.72995 C 0.00000 -0.41951 -20.99784 H -0.88504 -1.08495 -20.99363 H 0.88504 -1.08495 -20.99363 C 0.00000 0.40890 -22.28173 H 0.88536 1.07431 -22.28575 H -0.88536 1.07431 -22.28575 C 0.00000 -0.43671 -23.55444 H -0.88395 -1.10192 -23.55077 H 0.88395 -1.10192 -23.55077 C 0.00000 0.39266 -24.83772 H 0.88718 1.05781 -24.84111 H -0.88718 1.05781 -24.84111 C 0.00000 -0.36108 -26.05160 H -0.88573 -1.02623 -26.04821 H 0.88573 -1.02623 -26.04821 C 0.00000 0.46829 -27.33487 H 0.88541 1.13350 -27.33855 H -0.88541 1.13350 -27.33855 C 0.00000 -0.37732 -28.60758 H -0.88391 -1.04273 -28.60356 H 0.88391 -1.04273 -28.60356 C 0.00000 0.45109 -29.89148 H 0.88649 1.11653 -29.89568 H -0.88649 1.11653 -29.89568 C 0.00000 -0.39514 -31.16378 H -0.88248 -1.06075 -31.15937 H 0.88248 -1.06075 -31.15937 C 0.00000 0.43297 -32.44786 H 0.88178 1.09882 -32.45776 H -0.88178 1.09882 -32.45776 C 0.00000 -0.41322 -33.72018 H -0.88179 -1.07889 -33.71568 H 0.88179 -1.07889 -33.71568 C 0.00000 0.41526 -35.00404 H 0.88149 1.08114 -35.00841 H -0.88149 1.08114 -35.00841 C 0.00000 -0.46265 -36.34209 H -0.88038 -1.12750 -36.34265 H 0.88038 -1.12750 -36.34265 C 0.00000 0.38786 -37.61990 H 0.89471 1.03886 -37.65152 H -0.89471 1.03886 -37.65152 C 0.00000 -0.44494 -38.83366 H 0.88608 -1.11104 -38.83054 H -0.88608 -1.11104 -38.83054 C 0.00000 0.38622 -40.11578 H 0.88204 1.05266 -40.11826 H -0.88204 1.05266 -40.11826 C 0.00000 -0.45601 -41.39073 H -0.88458 -1.12254 -41.39375 H 0.88458 -1.12254 -41.39375 C 0.00000 0.37745 -42.67137 H 0.88250 1.04435 -42.67255 H -0.88250 1.04435 -42.67255 C 0.00000 -0.46219 -43.94802 H -0.88299 -1.12918 -43.94744 H 0.88299 -1.12918 -43.94744 C 0.00000 0.37421 -45.22676 H 0.88290 1.04155 -45.22633 H -0.88290 1.04155 -45.22633 C 0.00000 -0.46222 -46.50555 H -0.88172 -1.12954 -46.50655 H 0.88172 -1.12954 -46.50655 C 0.00000 0.37749 -47.78206 H 0.88346 1.04541 -47.77995 H -0.88346 1.04541 -47.77995 C 0.00000 -0.45459 -49.06448 H -0.88005 -1.12139 -49.06588 H 0.88005 -1.12139 -49.06588 C 0.00000 0.39608 -50.33218 H 0.89121 1.04939 -50.37247 H 0.00000 -0.23034 -51.24073 H -0.89121 1.04939 -50.37247 272 C90 alkane C 4.18019 -0.41444 41.36525 H 5.06173 -1.08031 41.36970 H 3.2986499999999994 -1.08031 41.36970 C 4.18019 0.41389 40.08130 H 5.0620199999999995 1.07956 40.08172 H 3.2983599999999997 1.07956 40.08172 C 4.18019 -0.43245 38.80908 H 5.0620199999999995 -1.09829 38.81405 H 3.2983599999999997 -1.09829 38.81405 C 4.18019 0.39552 37.52490 H 5.062709999999999 1.06113 37.52041 H 3.2976699999999997 1.06113 37.52041 C 4.18019 -0.45086 36.25270 H 3.2937299999999996 -1.11630 36.25698 H 5.066649999999999 -1.11630 36.25698 C 4.18019 0.37740 34.96871 H 5.06413 1.04281 34.96460 H 3.2962499999999997 1.04281 34.96460 C 4.18019 -0.46836 33.69609 H 3.2948199999999996 -1.13357 33.69985 H 5.06556 -1.13357 33.69985 C 4.18019 0.36087 32.41272 H 5.06595 1.02602 32.41426 H 3.2944299999999997 1.02602 32.41426 C 4.18019 -0.39302 31.19893 H 3.29303 -1.05816 31.20239 H 5.067349999999999 -1.05816 31.20239 C 4.18019 0.43621 29.91556 H 5.064159999999999 1.10142 29.91180 H 3.2962199999999995 1.10142 29.91180 C 4.18019 -0.40955 28.64294 H 3.2948499999999994 -1.07496 28.64705 H 5.06553 -1.07496 28.64705 C 4.18019 0.41871 27.35895 H 5.065239999999999 1.08415 27.35467 H 3.2951399999999995 1.08415 27.35467 C 4.18019 -0.42766 26.08675 H 3.29627 -1.09327 26.09124 H 5.0641099999999994 -1.09327 26.09124 C 4.18019 0.40195 24.80257 H 5.06365 1.06756 24.79808 H 3.2967299999999997 1.06756 24.79808 C 4.18019 -0.44443 23.53037 H 3.2946699999999995 -1.10987 23.53465 H 5.065709999999999 -1.10987 23.53465 C 4.18019 0.38383 22.25638 H 5.0650699999999995 1.04924 22.24228 H 3.2953099999999997 1.04924 22.24228 C 4.18019 -0.46193 20.97376 H 3.2957499999999995 -1.12714 20.97752 H 5.064629999999999 -1.12714 20.97752 C 4.18019 0.36730 19.69039 H 5.066879999999999 1.03245 19.68693 H 3.2935 1.03245 19.68693 C 4.18019 0.46363 42.70320 H 3.2998499999999997 1.12847 42.70369 H 5.06053 1.12847 42.70369 C 4.18019 -0.38673 43.97111 H 5.07496 -1.03773 44.01280 H 3.28542 -1.03773 44.01280 C 4.18019 0.44621 45.19478 H 3.2941599999999998 1.11230 45.19158 H 5.0662199999999995 1.11230 45.19158 C 4.18019 -0.38481 46.47699 H 5.06229 -1.05125 46.47954 H 3.2980899999999997 -1.05125 46.47954 C 4.18019 0.45756 47.75185 H 3.2956699999999994 1.12409 47.74979 H 5.06471 1.12409 47.74979 C 4.18019 -0.37575 49.03258 H 5.062749999999999 -1.04265 49.03384 H 3.29763 -1.04265 49.03384 C 4.18019 0.46404 50.30914 H 3.2972599999999996 1.13103 50.30847 H 5.06312 1.13103 50.30847 C 4.18019 -0.37221 51.58797 H 5.06316 -1.03955 51.58761 H 3.2972199999999994 -1.03955 51.58761 C 4.18019 0.46436 52.86666 H 3.2985499999999996 1.13169 52.86759 H 5.06183 1.13169 52.86759 C 4.18019 -0.37519 54.14326 H 5.06373 -1.04311 54.14624 H 3.2966499999999996 -1.04311 54.14624 C 4.18019 0.45703 55.42559 H 3.3002199999999995 1.12383 55.43191 H 5.06016 1.12383 55.43191 C 4.18019 -0.39349 56.69339 H 5.07149 -1.04680 56.73375 H 4.18019 0.23304 57.60187 H 3.2888899999999994 -1.04680 56.73375 C 4.18019 -0.38659 18.47660 H 3.2940099999999997 -1.05173 18.48006 H 5.066369999999999 -1.05173 18.48006 C 4.18019 0.44264 17.19323 H 5.0651399999999995 1.10785 17.18947 H 3.2952399999999997 1.10785 17.18947 C 4.18019 -0.40312 15.92061 H 3.2958299999999996 -1.06853 15.92472 H 5.06455 -1.06853 15.92472 C 4.18019 0.42514 14.63662 H 5.06623 1.09058 14.63234 H 3.2941499999999997 1.09058 14.63234 C 4.18019 -0.42123 13.36442 H 3.2972499999999996 -1.08684 13.36891 H 5.063129999999999 -1.08684 13.36891 C 4.18019 0.40838 12.08024 H 5.0639899999999995 1.07398 12.07575 H 3.2963899999999997 1.07398 12.07575 C 4.18019 -0.43800 10.80804 H 3.2950099999999996 -1.10344 10.81232 H 5.06537 -1.10344 10.81232 C 4.18019 0.39026 9.52405 H 5.06541 1.05567 9.51994 H 3.2949699999999997 1.05567 9.51994 C 4.18019 -0.45550 8.25143 H 3.2960999999999996 -1.12071 8.25519 H 5.06428 -1.12071 8.25519 C 4.18019 0.37373 6.96806 H 5.0672299999999995 1.03888 6.96460 H 3.29315 1.03888 6.96460 C 4.18019 -0.38016 5.75427 H 3.2930899999999994 -1.04531 5.75773 H 5.06729 -1.04531 5.75773 C 4.18019 0.44907 4.47090 H 3.29608 1.11428 4.46715 H 5.064299999999999 1.11428 4.46715 C 4.18019 -0.39669 3.19828 H 3.2948999999999997 -1.06210 3.20739 H 5.06548 -1.06210 3.20739 C 4.18019 0.43157 1.91429 H 5.0653 1.09701 1.91001 H 3.2950799999999996 1.09701 1.91001 C 4.18019 -0.41481 0.64209 H 3.2963199999999997 -1.08041 0.64658 H 5.06406 -1.08041 0.64658 C 4.18019 0.41481 -0.64209 H 5.06406 1.08041 -0.64658 H 3.2963199999999997 1.08041 -0.64658 C 4.18019 -0.43157 -1.91429 H 3.2950799999999996 -1.09701 -1.91001 H 5.0653 -1.09701 -1.91001 C 4.18019 0.39669 -3.19828 H 5.06548 1.06210 -3.20739 H 3.2948999999999997 1.06210 -3.20739 C 4.18019 -0.44907 -4.47090 H 3.29608 -1.11428 -4.46715 H 5.064299999999999 -1.11428 -4.46715 C 4.18019 0.38016 -5.75427 H 5.06729 1.04531 -5.75773 H 3.2930899999999994 1.04531 -5.75773 C 4.18019 -0.37373 -6.96806 H 3.29315 -1.03888 -6.96460 H 5.0672299999999995 -1.03888 -6.96460 C 4.18019 0.45550 -8.25143 H 3.2960999999999996 1.12071 -8.25519 H 5.06428 1.12071 -8.25519 C 4.18019 -0.39026 -9.52405 H 3.2949699999999997 -1.05567 -9.51994 H 5.06541 -1.05567 -9.51994 C 4.18019 0.43800 -10.80804 H 5.06537 1.10344 -10.81232 H 3.2950099999999996 1.10344 -10.81232 C 4.18019 -0.40838 -12.08024 H 3.2963899999999997 -1.07398 -12.07575 H 5.0639899999999995 -1.07398 -12.07575 C 4.18019 0.42123 -13.36442 H 5.063129999999999 1.08684 -13.36891 H 3.2972499999999996 1.08684 -13.36891 C 4.18019 -0.42514 -14.63662 H 3.2941499999999997 -1.09058 -14.63234 H 5.06623 -1.09058 -14.63234 C 4.18019 0.40312 -15.92061 H 5.06455 1.06853 -15.92472 H 3.2958299999999996 1.06853 -15.92472 C 4.18019 -0.44264 -17.19323 H 3.2952399999999997 -1.10785 -17.18947 H 5.0651399999999995 -1.10785 -17.18947 C 4.18019 0.38659 -18.47660 H 5.066369999999999 1.05173 -18.48006 H 3.2940099999999997 1.05173 -18.48006 C 4.18019 -0.36730 -19.69039 H 3.2935 -1.03245 -19.68693 H 5.066879999999999 -1.03245 -19.68693 C 4.18019 0.46193 -20.97376 H 5.064629999999999 1.12714 -20.97752 H 3.2957499999999995 1.12714 -20.97752 C 4.18019 -0.38383 -22.25638 H 3.2953099999999997 -1.04924 -22.24228 H 5.0650699999999995 -1.04924 -22.24228 C 4.18019 0.44443 -23.53037 H 5.065709999999999 1.10987 -23.53465 H 3.2946699999999995 1.10987 -23.53465 C 4.18019 -0.40195 -24.80257 H 3.2967299999999997 -1.06756 -24.79808 H 5.06365 -1.06756 -24.79808 C 4.18019 0.42766 -26.08675 H 5.0641099999999994 1.09327 -26.09124 H 3.29627 1.09327 -26.09124 C 4.18019 -0.41871 -27.35895 H 3.2951399999999995 -1.08415 -27.35467 H 5.065239999999999 -1.08415 -27.35467 C 4.18019 0.40955 -28.64294 H 5.06553 1.07496 -28.64705 H 3.2948499999999994 1.07496 -28.64705 C 4.18019 -0.43621 -29.91556 H 3.2962199999999995 -1.10142 -29.91180 H 5.064159999999999 -1.10142 -29.91180 C 4.18019 0.39302 -31.19893 H 5.067349999999999 1.05816 -31.20239 H 3.29303 1.05816 -31.20239 C 4.18019 -0.36087 -32.41272 H 5.06595 -1.02602 -32.41426 H 3.2944299999999997 -1.02602 -32.41426 C 4.18019 0.46836 -33.69609 H 5.06556 1.13357 -33.69985 H 3.2948199999999996 1.13357 -33.69985 C 4.18019 -0.37740 -34.96871 H 3.2962499999999997 -1.04281 -34.96460 H 5.06413 -1.04281 -34.96460 C 4.18019 0.45086 -36.25270 H 5.066649999999999 1.11630 -36.25698 H 3.2937299999999996 1.11630 -36.25698 C 4.18019 -0.39552 -37.52490 H 3.2976699999999997 -1.06113 -37.52041 H 5.062709999999999 -1.06113 -37.52041 C 4.18019 0.43245 -38.80908 H 5.0620199999999995 1.09829 -38.81405 H 3.2983599999999997 1.09829 -38.81405 C 4.18019 -0.41389 -40.08130 H 3.2983599999999997 -1.07956 -40.08172 H 5.0620199999999995 -1.07956 -40.08172 C 4.18019 0.41444 -41.36525 H 5.06173 1.08031 -41.36970 H 3.2986499999999994 1.08031 -41.36970 C 4.18019 -0.46363 -42.70320 H 3.2998499999999997 -1.12847 -42.70369 H 5.06053 -1.12847 -42.70369 C 4.18019 0.38673 -43.97111 H 5.07496 1.03773 -44.01280 H 3.28542 1.03773 -44.01280 C 4.18019 -0.44621 -45.19478 H 3.2941599999999998 -1.11230 -45.19158 H 5.0662199999999995 -1.11230 -45.19158 C 4.18019 0.38481 -46.47699 H 3.2980899999999997 1.05125 -46.47954 H 5.06229 1.05125 -46.47954 C 4.18019 -0.45756 -47.75185 H 3.2956699999999994 -1.12409 -47.74979 H 5.06471 -1.12409 -47.74979 C 4.18019 0.37575 -49.03258 H 5.062749999999999 1.04265 -49.03384 H 3.29763 1.04265 -49.03384 C 4.18019 -0.46404 -50.30914 H 3.2972599999999996 -1.13103 -50.30847 H 5.06312 -1.13103 -50.30847 C 4.18019 0.37221 -51.58797 H 5.06316 1.03955 -51.58761 H 3.2972199999999994 1.03955 -51.58761 C 4.18019 -0.46436 -52.86666 H 3.2985499999999996 -1.13169 -52.86759 H 5.06183 -1.13169 -52.86759 C 4.18019 0.37519 -54.14326 H 5.06373 1.04311 -54.14624 H 3.2966499999999996 1.04311 -54.14624 C 4.18019 -0.45703 -55.42559 H 3.3002199999999995 -1.12383 -55.43191 H 5.06016 -1.12383 -55.43191 C 4.18019 0.39349 -56.69339 H 5.07149 1.04680 -56.73375 H 4.18019 -0.23304 -57.60187 H 3.2888899999999994 1.04680 -56.73375 302 C100 alkane C 4.18019 -0.41352 47.72645 H 5.06067 -1.07977 47.73598 H 3.2997099999999997 -1.07977 47.73598 C 4.18019 0.41470 46.44243 H 5.061929999999999 1.07999 46.43781 H 3.29845 1.07999 46.43781 C 4.18019 -0.43175 45.18028 H 5.061019999999999 -1.09797 45.17533 H 3.2993599999999996 -1.09797 45.17533 C 4.18019 0.39610 43.88603 H 5.06267 1.06133 43.88151 H 3.2977099999999995 1.06133 43.88151 C 4.18019 -0.45039 42.61390 H 3.2927899999999997 -1.11544 42.61822 H 5.067589999999999 -1.11544 42.61822 C 4.18019 0.37776 41.32984 H 5.06414 1.04280 41.32570 H 3.2962399999999996 1.04280 41.32570 C 4.18019 -0.46810 40.05730 H 3.2939199999999995 -1.13293 40.06109 H 5.066459999999999 -1.13293 40.06109 C 4.18019 0.36101 38.77386 H 5.0660099999999995 1.02578 38.77035 H 3.29437 1.02578 38.77035 C 4.18019 -0.39298 37.56013 H 3.2922299999999995 -1.05774 37.56363 H 5.068149999999999 -1.05774 37.56363 C 4.18019 0.43614 36.27669 H 5.0643199999999995 1.10097 36.27290 H 3.2960599999999998 1.10097 36.27290 C 4.18019 -0.40973 35.00415 H 3.2940999999999994 -1.07476 35.00828 H 5.06628 -1.07476 35.00828 C 4.18019 0.41842 33.72008 H 5.065449999999999 1.08348 33.72076 H 3.2949299999999995 1.08348 33.72076 C 4.18019 -0.42807 32.44796 H 3.2955699999999997 -1.09330 32.45248 H 5.06481 -1.09330 32.45248 C 4.18019 0.40143 31.16370 H 5.06391 1.06666 31.15918 H 3.29647 1.06666 31.15918 C 4.18019 -0.44506 29.89157 H 3.29403 -1.11012 29.89589 H 5.06635 -1.11012 29.89589 C 4.18019 0.38309 28.60751 H 5.065379999999999 1.04812 28.60337 H 3.2949999999999995 1.04812 28.60337 C 4.18019 -0.46277 27.33497 H 3.2951599999999996 -1.12761 27.33876 H 5.06522 -1.12761 27.33876 C 4.18019 0.36634 26.05153 H 5.06725 1.03111 26.04802 H 3.2931299999999997 1.03111 26.04802 C 4.18019 0.46466 49.06433 H 3.2997199999999998 1.12989 49.06474 H 5.0606599999999995 1.12989 49.06474 C 4.18019 -0.38559 50.33231 H 5.07386 -1.03697 50.37408 H 3.2865199999999994 -1.03697 50.37408 C 4.18019 0.44746 51.55590 H 3.2939599999999998 1.11393 51.55262 H 5.06642 1.11393 51.55262 C 4.18019 -0.38344 52.83819 H 5.0611299999999995 -1.05026 52.84082 H 3.29925 -1.05026 52.84082 C 4.18019 0.45903 54.11297 H 3.2954199999999996 1.12594 54.11084 H 5.064959999999999 1.12594 54.11084 C 4.18019 -0.37416 55.39378 H 5.06154 -1.04144 55.39511 H 3.2988399999999998 -1.04144 55.39511 C 4.18019 0.46573 56.67026 H 3.29695 1.13310 56.66952 H 5.063429999999999 1.13310 56.66952 C 4.18019 -0.37040 57.94916 H 5.06189 -1.03813 57.94889 H 3.2984899999999997 -1.03813 57.94889 C 4.18019 0.46628 59.22778 H 3.29817 1.13398 59.22863 H 5.062209999999999 1.13398 59.22863 C 4.18019 -0.37317 60.50446 H 5.06239 -1.04147 60.50751 H 3.2979899999999995 -1.04147 60.50751 C 4.18019 0.45917 61.78671 H 3.29979 1.12635 61.78796 H 5.0605899999999995 1.12635 61.78796 C 4.18019 -0.39124 63.05459 H 5.07008 -1.04493 63.09503 H 4.18019 0.23536 63.96302 H 3.2903 -1.04493 63.09503 C 4.18019 -0.38765 24.83780 H 3.2935099999999995 -1.05242 24.84130 H 5.06687 -1.05242 24.84130 C 4.18019 0.44146 23.55435 H 5.0656 1.10630 23.55056 H 3.2947799999999994 1.10630 23.55056 C 4.18019 -0.40440 22.28181 H 3.2953799999999998 -1.06943 22.28595 H 5.0649999999999995 -1.06943 22.28595 C 4.18019 0.42375 20.99775 H 5.066739999999999 1.08881 20.99343 H 3.29364 1.08881 20.99343 C 4.18019 -0.42274 19.72562 H 3.2968599999999997 -1.08797 19.73015 H 5.06352 -1.08797 19.73015 C 4.18019 0.40676 18.44137 H 5.064559999999999 1.07199 18.43684 H 3.2958199999999995 1.07199 18.43684 C 4.18019 -0.43973 17.16924 H 3.2946799999999996 -1.10479 17.17356 H 5.0657 -1.10479 17.17356 C 4.18019 0.38842 15.88518 H 5.06603 1.05345 15.88104 H 3.2943499999999997 1.05345 15.88104 C 4.18019 -0.45745 14.61264 H 3.2958099999999995 -1.12228 14.61643 H 5.06457 -1.12228 14.61643 C 4.18019 0.37167 13.33919 H 5.0679 1.03643 13.33069 H 3.2924799999999994 1.03643 13.33069 C 4.18019 -0.38232 12.11547 H 3.29289 -1.04709 12.11897 H 5.067489999999999 -1.04709 12.11897 C 4.18019 0.44679 10.83202 H 3.2968499999999996 1.11238 10.82820 H 5.06353 1.11238 10.82820 C 4.18019 -0.39908 9.55948 H 3.2947599999999997 -1.06411 9.56362 H 5.06562 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