0 mol 56 unq 0 iso 0 dist 8.55131 5.84326 5.02731 11.3819 5.62688 9.2898 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.25184 5.9651 9.32604 4.60844 12.1465 9.8703 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 9.43167 5.9651 6.38894 4.60844 11.4565 9.8703 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 7.83167 9.61812 7.77542 17.6236 17.5961 9.90751 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 7.83167 9.61812 7.77542 17.5707 15.5204 9.21662 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 9.71402 8.47907 11.9943 12.3287 17.8898 6.00603 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.82079 7.5055 7.33132 6.30012 4.79003 7.22643 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.16832 8.31276 16.9873 6.67639 14.3645 9.10524 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 9.16832 8.31276 16.9873 4.72407 12.9846 6.42772 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 9.16832 5.79157 6.34069 4.72407 12.9846 9.1998 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 9.16832 5.79157 6.34069 7.97297 12.7126 8.69531 numMergedOcc 0
11 mol 134 unq 4 iso 0 dist 9.16832 5.50687 5.70883 4.4987 10.7677 5.35237 numMergedOcc 0
12 mol 134 unq 5 iso 0 dist 9.16832 5.50687 5.70883 4.72407 12.9846 8.70621 numMergedOcc 0
13 mol 134 unq 6 iso 0 dist 9.16832 7.30919 7.91746 6.67639 14.3645 9.00918 numMergedOcc 0
14 mol 134 unq 7 iso 0 dist 9.16832 7.30919 7.91746 4.4987 10.7677 7.99477 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 6.54706 8.86346 6.01403 13.5413 11.6845 7.81207 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 6.54706 8.86346 6.01403 10.4327 10.7274 7.18002 numMergedOcc 0
17 mol 142 unq 2 iso 0 dist 4.56239 4.93681 6.01403 9.85239 11.6845 7.81207 numMergedOcc 0
18 mol 142 unq 3 iso 0 dist 4.56239 4.93681 6.01403 8.64092 10.7274 7.18002 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 7.24761 8.04723 12.0146 12.8554 18.7471 9.11204 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.27131 4.78641 5.87028 8.15463 12.9598 7.41662 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 8.90925 6.22964 8.50775 10.9033 17.4545 9.21377 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 9.95318 9.79816 15.2473 15.4347 19.6714 7.33709 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 7.36479 7.80612 7.95216 11.091 10.4009 7.10671 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 7.36479 7.80612 7.95216 8.97902 5.54003 8.67156 numMergedOcc 0
25 mol 267 unq 0 iso 0 dist 7.42127 7.94474 6.40111 10.6273 14.3052 8.8293 numMergedOcc 0
26 mol 267 unq 1 iso 0 dist 6.40976 7.94474 5.75453 10.6273 10.5017 8.8293 numMergedOcc 0
27 mol 267 unq 2 iso 0 dist 9.77803 7.94474 9.54325 10.6273 12.9361 8.8293 numMergedOcc 0
