0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 11.6051 13.0782 9.07223 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.02869 5.83658 5.37308 6.32562 6.18852 7.60712 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.38748 6.22892 5.0893 10.8958 9.98373 6.28925 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 9.5937 9.81769 11.3627 11.4582 17.6832 8.07518 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 7.34681 9.81769 15.703 11.4582 17.1258 8.07518 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 10.5087 16.7993 9.61998 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 5.33828 5.98814 6.95343 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 9.17056 13.4718 9.33919 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 4.70598 12.3999 8.01624 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 9.90256 8.91602 11.2095 4.70598 12.3999 7.83004 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 7.57471 6.8014 5.30415 8.01387 12.3999 8.01624 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 5.62336 9.1329 5.507 5.97685 8.35729 8.01624 numMergedOcc 0
12 mol 87 unq 4 iso 0 dist 5.62336 9.03114 7.26523 5.97685 8.35729 7.83004 numMergedOcc 0
13 mol 87 unq 5 iso 0 dist 5.63748 5.26938 5.507 4.70598 8.35729 8.01624 numMergedOcc 0
14 mol 87 unq 6 iso 0 dist 5.63748 8.91602 7.26523 4.70598 8.35729 7.83004 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 5.90885 10.0469 7.19937 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.23104 5.97805 4.80228 5.49451 10.7259 6.05583 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 9.54337 8.55431 12.3309 7.40038 15.5549 6.4829 numMergedOcc 0
18 mol 159 unq 1 iso 0 dist 6.86212 8.55431 5.10423 7.40038 8.00886 6.4829 numMergedOcc 0
19 mol 159 unq 2 iso 0 dist 9.9368 8.55431 7.18851 7.40038 7.9448 6.4829 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 4.44987 7.15418 4.81264 6.0215 6.46097 6.36868 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 9.87574 7.24395 10.0277 5.28724 12.7957 9.94707 numMergedOcc 0
22 mol 198 unq 1 iso 0 dist 9.87574 7.24395 10.0277 5.91575 15.449 9.40705 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 6.02175 13.6875 5.31963 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 8.44407 12.3394 5.45139 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 5.87944 10.269 7.55134 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 7.74965 7.34344 13.4636 11.4196 18.7695 8.06073 numMergedOcc 0
