0 mol 32 unq 0 iso 0 dist 6.19304 5.28639 4.62858 11.3982 6.30042 8.74576 11.7888 7.99969 6.68431 7.26268 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 9.67641 17.4457 9.0008 12.4794 5.26394 8.96498 15.8632 11.6703 10.331 8.3733 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 4.73362 7.5192 7.03226 13.3552 10.1364 9.4866 17.2528 13.9633 10.963 8.13108 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.3795 9.82998 7.03226 8.8326 10.1364 9.4866 15.957 13.9633 10.963 8.13108 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.48678 10.1356 6.0129 6.74197 3.92737 4.44979 12.31 12.5931 12.0058 9.64383 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.48678 10.1356 6.0129 6.74197 3.92737 4.44979 11.0642 4.47349 10.0962 7.54889 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 8.48678 10.1356 6.0129 6.74197 3.92737 4.44979 7.71768 5.65185 11.2452 7.78931 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 8.48678 10.1356 6.0129 12.3653 3.94967 6.61111 13.9683 6.7117 8.70415 5.10496 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 8.48678 10.1356 6.0129 12.3653 3.94967 6.61111 17.3037 9.42961 9.74284 5.92242 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 8.48678 10.1356 6.0129 12.3653 3.94967 6.61111 11.0642 4.47349 10.0962 5.2571 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 8.48678 10.1356 6.0129 12.3653 3.94967 6.61111 7.71768 5.65185 11.2452 8.7497 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.95622 10.6656 7.70313 17.2985 10.3264 8.0168 18.729 13.3009 10.7942 6.39384 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 8.95622 10.6656 7.70313 17.2985 10.3264 8.0168 20.5248 17.0848 10.9739 9.42082 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.05937 11.0594 7.26955 18.8411 14.9264 9.08536 24.8366 22.9076 16.7975 8.95212 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.05937 11.0594 7.26955 18.8411 14.9264 9.08536 15.4035 14.2293 7.36192 6.99446 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.05937 11.0594 7.26955 18.8411 14.9264 9.08536 19.887 17.9198 10.6679 7.64052 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.93309 14.3323 8.21165 19.8197 12.3375 8.55349 15.442 12.7901 9.53782 8.77023 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 7.43112 10.8174 6.21403 9.78764 4.07076 5.73203 16.1534 12.5366 14.0644 9.10524 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 7.43112 10.8174 6.21403 9.78764 4.07076 5.73203 14.3463 11.2937 5.9915 9.00918 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 7.43112 10.8174 6.21403 7.49352 6.32315 6.57379 10.5666 11.2661 8.96357 5.35237 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 7.43112 10.8174 6.21403 7.49352 6.32315 6.57379 14.3463 11.2937 5.9915 7.99477 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 6.09693 6.51469 6.21403 8.93126 4.07076 5.73203 17.7115 12.5366 14.0644 9.10524 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 6.09693 6.51469 6.21403 8.93126 4.07076 5.73203 11.4208 11.2937 5.9915 9.00918 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 6.09693 6.51469 6.21403 8.27742 6.32315 6.57379 10.9411 11.2661 8.96357 5.35237 numMergedOcc 0
24 mol 134 unq 7 iso 0 dist 6.09693 6.51469 6.21403 8.27742 6.32315 6.57379 11.4208 11.2937 5.9915 7.99477 numMergedOcc 0
25 mol 168 unq 0 iso 0 dist 8.30857 5.09374 7.60254 5.21801 4.02702 7.06851 7.26802 7.44629 8.67522 6.02086 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 5.25309 6.09218 7.05653 9.86015 4.98436 9.09234 7.07865 5.94469 6.7991 6.64173 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 5.25309 6.09218 7.05653 12.3619 11.9796 6.76746 7.07865 5.94469 6.7991 9.01624 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 5.25309 6.09218 7.05653 12.3619 11.9796 6.76746 13.3943 14.8638 8.35755 5.05973 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 5.25309 6.09218 7.05653 14.0951 12.3589 8.92098 7.07865 5.94469 6.7991 9.55105 numMergedOcc 0
