0 mol 48 unq 0 iso 0 dist 7.02387 4.70231 5.7836 9.16424 6.71583 6.03404 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.92898 4.70231 5.89173 9.16424 5.12352 6.03404 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 8.44353 12.8187 7.20729 10.9551 3.3785 6.07052 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 4.74786 8.13678 5.7836 9.42263 6.71583 6.03404 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 4.53565 8.24402 5.82264 9.4708 6.77378 6.07052 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 8.53722 12.7671 7.32996 11.1005 3.34853 6.03404 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 5.42296 6.56778 9.09425 9.35784 7.63211 9.54323 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.98478 8.88332 6.41008 15.8814 8.98585 7.58739 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.98478 8.88332 6.41008 15.7229 10.5853 9.01564 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 8.98478 8.88332 6.41008 12.8612 5.11422 7.11065 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 9.40835 5.11693 9.83914 9.97299 8.57997 8.60069 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.11491 6.49291 6.86517 6.52939 5.9297 7.43127 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.11491 7.82761 8.33791 14.3253 11.4347 9.09458 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 7.90338 4.52595 7.56495 13.4344 11.5615 9.77084 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 7.90338 4.52595 7.56495 8.71844 10.2908 6.5551 numMergedOcc 0
15 mol 79 unq 4 iso 0 dist 5.82384 8.45612 7.38548 13.9623 10.0358 9.09458 numMergedOcc 0
16 mol 79 unq 5 iso 0 dist 7.08462 4.52595 7.63923 13.4344 10.6375 9.77084 numMergedOcc 0
17 mol 79 unq 6 iso 0 dist 7.08462 4.52595 7.63923 8.71844 7.19532 6.5551 numMergedOcc 0
18 mol 79 unq 7 iso 0 dist 7.15907 4.58851 7.38548 12.9343 10.0358 9.09458 numMergedOcc 0
19 mol 135 unq 0 iso 0 dist 9.94534 11.52 7.02963 7.6337 5.83178 7.28318 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 7.6077 8.00091 4.51777 9.65629 5.42718 8.81244 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 6.17074 8.68853 9.9042 12.7149 9.3899 8.15661 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 7.72298 10.8576 8.41013 13.9735 8.88633 5.31416 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 7.72298 10.8576 8.41013 9.58372 3.64285 5.44533 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 5.30187 4.73121 4.52405 8.93646 3.68866 6.75725 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 5.30187 4.73121 4.52405 11.4535 12.8784 9.31888 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.50158 6.99137 9.32971 11.6498 9.39944 9.63518 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.85661 4.60275 8.09181 6.66172 10.6981 8.60027 numMergedOcc 0
