0 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 4.5844 11.5125 7.13565 4.83638 11.087 9.11745 3.08756 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 7.83595 8.204 10.5615 4.5844 11.5125 7.13565 5.2103 10.9758 4.62145 3.30447 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 7.83595 8.204 10.5615 4.5844 11.5125 7.13565 14.1481 16.9608 9.71995 10.8938 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.38928 5.35252 5.03338 5.76698 12.5606 8.8645 8.12843 12.6567 8.52681 4.88527 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.38928 5.35252 5.03338 5.76698 12.5606 8.8645 9.72202 14.8248 9.98769 5.56357 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 8.36915 9.53081 13.2937 12.665 16.7433 7.34325 15.1442 16.9082 7.90416 5.22869 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 8.36915 9.53081 13.2937 12.665 16.7433 7.34325 4.89976 13.0903 9.74553 11.1154 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 8.36915 9.53081 13.2937 14.1985 18.0898 6.42037 15.1442 16.9082 7.90416 4.48872 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 8.36915 9.53081 13.2937 14.1985 18.0898 6.42037 4.89976 13.0903 9.74553 12.8399 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 6.01454 9.53081 5.41488 12.665 8.94842 7.34325 15.1442 9.77004 7.90416 5.22869 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 6.01454 9.53081 5.41488 12.665 8.94842 7.34325 4.89976 8.36323 9.74553 11.1154 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 6.01454 9.53081 5.41488 14.1985 9.9555 6.42037 15.1442 9.77004 7.90416 4.48872 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 6.01454 9.53081 5.41488 14.1985 9.9555 6.42037 4.89976 8.36323 9.74553 12.8399 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.33859 12.707 8.40389 5.72803 8.2575 5.87382 9.54913 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 7.4454 15.3549 9.35701 3.75302 12.5105 8.95465 6.6937 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 7.07348 9.96635 10.9312 7.76298 12.0644 7.68074 13.4119 14.1102 7.76952 7.53461 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 7.07348 9.96635 10.9312 7.76298 12.0644 7.68074 12.6695 15.9309 9.98554 13.5303 numMergedOcc 0
17 mol 158 unq 2 iso 0 dist 7.07348 9.96635 10.9312 8.17573 13.0344 9.1854 13.4119 14.1102 7.76952 15.3696 numMergedOcc 0
18 mol 158 unq 3 iso 0 dist 7.07348 9.96635 10.9312 8.17573 13.0344 9.1854 12.6695 15.9309 9.98554 5.09517 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 7.60912 9.9368 13.4546 15.7186 19.6156 9.45909 13.1056 19.296 8.61788 7.43333 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 13.4486 13.507 8.09915 8.09407 12.9744 8.92335 12.7357 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.71944 8.82663 5.45067 4.22586 9.65116 7.92513 4.93894 8.32306 5.95109 5.54474 numMergedOcc 0
22 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 8.65358 13.2708 8.93589 4.80974 8.75742 9.45199 4.99117 numMergedOcc 0
23 mol 244 unq 1 iso 0 dist 6.51428 7.79787 13.4155 8.65358 13.2708 8.93589 13.59 18.3375 9.07512 7.28456 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.46469 9.1515 8.56493 8.32339 7.80866 9.04147 3.54511 numMergedOcc 0
25 mol 249 unq 1 iso 0 dist 9.04715 3.67935 5.75331 6.46469 14.1233 8.56493 8.32339 13.9394 9.04147 3.54511 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.77392 9.0836 16.492 7.90149 14.1584 8.9221 7.52317 13.6284 6.39822 3.14784 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 9.77392 9.0836 16.492 7.90149 14.1584 8.9221 9.52953 14.9038 5.36518 5.95721 numMergedOcc 0
28 mol 266 unq 2 iso 0 dist 9.77392 9.62494 18.9489 7.90149 14.1584 9.51145 5.79323 12.7077 9.90506 3.68488 numMergedOcc 0
29 mol 266 unq 3 iso 0 dist 9.77392 9.62494 18.9489 7.90149 14.1584 9.51145 7.52317 13.6284 8.61077 3.14784 numMergedOcc 0
30 mol 266 unq 4 iso 0 dist 9.77392 9.62494 18.9489 7.90149 14.1584 9.51145 9.52953 14.9038 9.11585 5.95721 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 5.38166 8.18813 6.42951 14.4215 13.4083 9.07744 10.5214 numMergedOcc 0
