0 mol 90 unq 0 iso 0 dist 8.86576 6.88603 13.2633 4.5896 12.4356 9.16721 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 8.79798 6.97484 4.98716 8.99211 6.59382 7.00606 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.96575 6.47401 10.8572 5.73392 14.8631 6.64631 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 8.59592 6.47401 4.46367 5.73392 10.5589 6.64631 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.87576 9.6785 6.45112 4.73128 10.5475 9.78437 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 8.32453 7.13287 6.50232 6.85248 13.7716 9.43335 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 8.32453 7.13287 6.50232 10.559 5.46716 9.9492 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 9.3072 6.91289 5.58057 11.075 5.55129 8.07915 numMergedOcc 0
8 mol 150 unq 0 iso 0 dist 8.78461 6.895 5.55906 10.4943 5.53778 7.97801 numMergedOcc 0
9 mol 212 unq 0 iso 0 dist 8.88323 6.11919 5.8232 5.23162 9.89938 9.15316 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 7.60093 6.06804 6.07589 5.44668 10.7871 7.77951 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 7.60093 6.06804 6.07589 5.18467 6.14732 8.82471 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 8.47921 6.89216 5.1967 4.79969 12.7735 9.88122 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 9.46142 8.91763 9.95362 4.74813 13.6674 9.46582 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 9.46142 6.62086 4.85351 4.74813 13.6674 9.77231 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 6.53411 6.50118 4.85351 10.0091 13.6674 9.77231 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 7.97228 5.50677 9.74595 10.8606 17.6516 8.44015 numMergedOcc 0
17 mol 264 unq 1 iso 0 dist 7.97228 8.75957 13.7336 10.8606 17.6516 6.21206 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.88613 8.8896 13.6692 6.59723 12.0677 8.62431 numMergedOcc 0
