Methanol, 1 bar, 300K, equilibrated using PME, BdG 21-09-2001 648 1SOL Me1 1 1.970 1.460 1.209 -0.8587 -0.1344 -0.0643 1SOL O2 2 1.978 1.415 1.082 0.0623 -0.1787 0.0036 1SOL H3 3 1.905 1.460 1.030 -0.5020 -0.9564 0.0997 2SOL Me1 4 2.013 0.181 0.123 0.0317 0.4268 -0.0034 2SOL O2 5 1.980 0.097 0.224 -0.8424 -0.0021 -0.6308 2SOL H3 6 2.060 0.100 0.284 -0.7967 -0.7548 -0.6455 3SOL Me1 7 2.008 0.409 0.498 -0.6920 0.4374 0.2455 3SOL O2 8 2.109 0.460 0.422 -0.6105 0.1049 0.1322 3SOL H3 9 2.170 0.506 0.486 -0.6959 -1.9809 1.8452 4SOL Me1 10 1.856 1.779 1.151 -0.2574 0.2271 -0.0352 4SOL O2 11 1.951 1.877 1.153 0.0214 -0.0482 0.2841 4SOL H3 12 1.921 1.951 1.093 -1.3847 0.5959 1.7174 5SOL Me1 13 0.508 0.359 0.891 -0.0490 0.3021 0.0161 5SOL O2 14 0.545 0.379 1.021 -0.5176 -0.3680 0.2596 5SOL H3 15 0.636 0.338 1.021 -0.3333 -0.0374 -1.4028 6SOL Me1 16 1.940 1.228 0.656 0.4103 0.2855 -0.1664 6SOL O2 17 1.941 1.334 0.571 -0.0045 0.0824 -0.4259 6SOL H3 18 1.984 1.411 0.617 -0.6677 0.2026 0.0120 7SOL Me1 19 2.320 0.469 2.090 -0.3362 0.0404 -0.0943 7SOL O2 20 2.371 0.362 2.156 0.2488 0.4496 0.1211 7SOL H3 21 2.430 0.399 2.228 -1.0658 1.2308 0.8565 8SOL Me1 22 2.335 0.060 2.025 -0.2750 0.1052 0.4195 8SOL O2 23 2.340 0.092 2.157 0.1898 0.5335 0.2998 8SOL H3 24 2.338 0.192 2.162 -1.4250 0.4733 2.1386 9SOL Me1 25 0.178 1.904 0.751 -0.4260 0.0275 0.3034 9SOL O2 26 0.184 2.038 0.775 0.4418 -0.0296 0.4547 9SOL H3 27 0.090 2.058 0.745 1.4539 1.5971 -1.9769 10SOL Me1 28 1.228 1.664 0.799 0.2675 -0.1010 -0.0362 10SOL O2 29 1.350 1.634 0.852 0.2305 0.0331 0.1217 10SOL H3 30 1.384 1.560 0.794 1.7860 -1.1433 2.3779 11SOL Me1 31 1.267 2.405 0.681 -0.1861 0.2017 -0.2268 11SOL O2 32 1.176 2.309 0.710 -0.4185 0.3766 -0.3713 11SOL H3 33 1.137 2.272 0.625 0.7564 -0.7378 -0.4501 12SOL Me1 34 1.684 1.482 2.343 -0.0663 0.1099 -0.3340 12SOL O2 35 1.740 1.564 2.250 -0.2011 0.1782 -0.3531 12SOL H3 36 1.779 1.636 2.308 -0.0014 -0.2969 0.1070