0 mol 20 unq 0 iso 0 dist 8.38129 5.48326 8.19827 10.8304 9.49629 6.4934 6.39663 11.8459 6.31611 8.72023 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.00784 4.93779 7.84204 13.1994 15.962 9.16962 7.84034 12.526 4.80984 5.69955 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 8.19398 5.68507 5.48202 11.9672 6.93285 9.34122 8.27479 7.34145 4.95817 6.54023 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 9.00059 13.0805 5.96977 13.5929 4.97363 6.96442 11.0397 6.4569 7.27945 9.7918 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 9.87517 6.45112 5.96977 11.293 4.97363 6.96442 5.83696 6.4569 7.27945 9.7918 numMergedOcc 0
5 mol 114 unq 2 iso 0 dist 7.90713 6.10186 5.96977 11.5361 4.97363 6.96442 4.99413 6.4569 7.27945 9.7918 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 5.79144 5.81429 5.69323 7.57458 4.05822 7.15475 9.05212 9.80578 5.14959 9.17106 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 9.15935 9.73855 8.22067 11.9731 3.79489 7.36119 19.3433 10.6162 14.0853 7.73169 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 9.15935 9.73855 8.22067 11.9731 3.79489 7.36119 8.41671 5.22104 5.33988 5.38091 numMergedOcc 0
9 mol 156 unq 2 iso 0 dist 8.24388 10.9497 8.22067 10.8757 3.79489 7.36119 16.9143 10.6162 14.0853 7.73169 numMergedOcc 0
10 mol 156 unq 3 iso 0 dist 8.24388 10.9497 8.22067 10.8757 3.79489 7.36119 6.88531 5.22104 5.33988 5.38091 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.19329 4.97806 7.61421 11.2315 11.618 6.71012 17.51 17.8064 12.69 6.51749 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 9.8226 6.14528 5.69634 13.8661 12.7879 9.5707 21.23 19.0414 16.5499 7.5366 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 9.8226 11.1481 7.91374 15.1236 13.8525 6.25105 21.23 19.0414 13.0974 8.24186 numMergedOcc 0
14 mol 234 unq 2 iso 0 dist 9.8226 11.1481 7.91374 13.8661 12.7879 7.85175 21.23 19.0414 13.0974 7.5366 numMergedOcc 0
15 mol 234 unq 3 iso 0 dist 9.2653 5.43106 5.69634 12.5861 12.7879 9.5707 18.5159 19.0414 16.5499 7.5366 numMergedOcc 0
16 mol 234 unq 4 iso 0 dist 9.2653 6.41546 7.91374 10.7031 13.8525 6.25105 18.5159 19.0414 13.0974 8.24186 numMergedOcc 0
17 mol 234 unq 5 iso 0 dist 9.2653 6.41546 7.91374 12.5861 12.7879 7.85175 18.5159 19.0414 13.0974 7.5366 numMergedOcc 0
18 mol 234 unq 6 iso 0 dist 8.33309 13.0843 5.69634 16.9568 12.7879 9.5707 20.7214 19.0414 16.5499 7.5366 numMergedOcc 0
19 mol 234 unq 7 iso 0 dist 8.33309 11.9483 7.91374 16.9439 13.8525 6.25105 20.7214 19.0414 13.0974 8.24186 numMergedOcc 0
20 mol 234 unq 8 iso 0 dist 8.33309 11.9483 7.91374 16.9568 12.7879 7.85175 20.7214 19.0414 13.0974 7.5366 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 8.75224 11.3446 5.23503 10.0766 5.97386 6.77938 16.5628 14.1339 12.1218 8.59697 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 8.75224 11.1732 9.61028 10.0766 5.97386 7.76676 16.5628 14.1339 9.22203 8.59697 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.92035 4.75686 9.50158 12.1634 7.84345 9.02188 11.1063 13.1667 8.12927 7.71657 numMergedOcc 0
