0 mol 41 unq 0 iso 0 dist 6.68599 5.36895 8.61524 4.29713 6.02913 7.18662 5.07641 11.48 7.99312 8.76849 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 6.68599 5.36895 8.61524 4.29713 6.02913 7.18662 8.54745 14.9543 8.2183 11.4753 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 8.06901 5.48831 5.86484 9.20886 12.4898 7.07356 13.0773 13.6843 9.96708 12.1131 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 8.06901 5.48831 5.86484 9.20886 12.4898 7.07356 10.5933 15.4072 9.78528 7.66093 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 8.56119 4.76634 9.76194 11.2307 13.2707 7.9245 15.2056 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 8.97936 6.04201 4.50272 6.26149 11.1445 7.89459 12.2268 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 5.84349 7.90775 4.33346 7.84956 5.64279 7.45908 4.16047 8.26838 9.03572 11.5783 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 5.84349 7.90775 4.33346 8.57607 8.32734 4.99174 4.16047 8.26838 9.03572 8.27883 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 5.84349 7.90775 4.33346 6.1991 4.79063 4.46005 4.16047 8.26838 9.03572 5.75428 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 5.84349 7.90775 4.33346 5.96246 4.05985 8.28518 4.16047 8.26838 9.03572 8.57395 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 7.90927 8.84131 9.9427 9.16431 5.21593 7.75097 8.90571 13.5476 7.36792 13.7125 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 9.16431 10.2581 7.75097 8.90571 9.0361 7.36792 13.7125 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 8.81097 5.71 10.8373 14.4072 18.3231 6.69288 15.7548 numMergedOcc 0
13 mol 178 unq 1 iso 0 dist 9.3355 8.04723 13.6129 8.81097 5.71 10.8373 13.0519 19.4581 6.43573 17.2277 numMergedOcc 0
14 mol 178 unq 2 iso 0 dist 9.3355 8.04723 13.6129 8.81097 5.71 10.8373 10.5681 17.5964 7.17202 13.544 numMergedOcc 0
15 mol 178 unq 3 iso 0 dist 9.3355 8.04723 13.6129 8.81097 5.71 10.8373 9.1499 17.9703 8.81551 15.2622 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 9.10154 7.57253 5.45696 8.1692 5.59992 5.42461 9.29407 13.353 8.27212 10.3021 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 5.9625 7.69003 10.5937 18.4732 16.3801 9.99038 19.0739 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 5.46484 8.95071 6.49831 5.9625 7.69003 10.5937 12.8358 12.2331 6.27581 15.106 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 7.72368 7.80612 6.64693 9.89379 7.33221 4.81639 9.62983 13.8538 8.23192 11.4025 numMergedOcc 0
