0 mol 36 unq 0 iso 0 dist 8.05598 5.58536 9.13772 6.66044 13.203 7.90158 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 7.34019 6.6055 8.76585 6.73215 10.6124 7.00857 numMergedOcc 0
2 mol 36 unq 2 iso 0 dist 8.43828 6.6055 8.91922 6.73215 14.0273 7.00857 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 6.14934 8.03678 4.50835 7.39458 10.0639 9.09778 numMergedOcc 0
4 mol 42 unq 1 iso 0 dist 8.04675 8.03678 4.98339 7.39458 6.86731 9.09778 numMergedOcc 0
5 mol 42 unq 2 iso 0 dist 9.82637 8.7885 12.7112 10.9358 19.2982 9.09778 numMergedOcc 0
6 mol 42 unq 3 iso 0 dist 8.64833 8.7885 4.50835 10.9358 10.0639 9.09778 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 9.31319 5.92771 7.13979 11.0316 13.9454 7.23371 numMergedOcc 0
8 mol 46 unq 1 iso 0 dist 8.2513 5.92771 9.26597 11.0316 14.8231 7.23371 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 3.80217 10.3799 7.62814 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 9.84668 6.0662 6.91113 3.62253 13.3625 8.57935 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 7.28711 8.47126 9.80027 7.33451 13.8385 9.67751 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 7.43775 8.88554 9.78876 8.45601 13.6846 8.62894 numMergedOcc 0
13 mol 122 unq 1 iso 0 dist 8.09594 8.88554 4.59202 8.45601 10.8719 8.62894 numMergedOcc 0
14 mol 153 unq 0 iso 0 dist 9.56587 5.17415 6.14894 6.4242 11.4613 6.18934 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 8.1504 4.80508 6.81208 5.784 10.3757 5.78626 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 8.1504 4.80508 6.81208 9.54264 16.2971 9.8417 numMergedOcc 0
17 mol 158 unq 2 iso 0 dist 8.1504 4.88625 5.74997 5.784 10.3757 4.68068 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.08787 7.93815 4.63377 5.48411 10.0625 8.45086 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 6.93507 6.32658 5.57138 5.35689 7.72708 5.7671 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 6.42827 6.32658 10.3504 5.35689 11.455 5.7671 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 4.96568 9.19805 5.94366 9.17848 5.3051 8.57848 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 7.28096 8.20391 10.0322 10.1218 11.8739 8.09613 numMergedOcc 0
23 mol 287 unq 1 iso 0 dist 9.22576 8.08382 6.68639 13.9974 13.272 7.29668 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.28096 8.20391 10.0322 10.1218 11.8739 8.09613 numMergedOcc 0
25 mol 288 unq 1 iso 0 dist 9.22576 8.08382 6.68639 13.9974 13.272 7.29668 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 7.28096 8.20391 10.0322 10.1218 11.8739 8.09613 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 9.22576 8.08382 6.68639 13.9974 13.272 7.29668 numMergedOcc 0
