0 mol 24 unq 0 iso 0 dist 8.24948 6.99746 5.80953 13.1457 11.1587 7.85986 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.24948 6.99746 5.80953 11.1639 8.72577 4.30252 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.01284 4.82556 5.78532 5.02954 3.33439 5.9372 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.01284 4.82556 5.78532 9.31178 3.64811 8.17583 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.01284 6.25108 8.49709 11.9085 10.8745 7.03544 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.01284 6.25108 8.49709 5.02954 3.33439 6.93597 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.90721 5.45023 6.7142 13.5481 7.78809 9.11311 numMergedOcc 0
7 mol 39 unq 0 iso 0 dist 7.99016 5.14532 8.20298 5.00813 6.92307 9.02925 numMergedOcc 0
8 mol 39 unq 1 iso 0 dist 6.41793 5.14532 6.13351 5.00813 7.52517 9.02925 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.04168 10.6438 6.5551 16.9312 10.2908 7.56495 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 8.04168 10.6438 6.5551 13.6854 7.19532 7.63923 numMergedOcc 0
11 mol 79 unq 2 iso 0 dist 8.04168 10.6438 6.5551 15.9256 8.58888 8.23095 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.98037 8.67827 6.59716 10.3338 8.74506 9.69694 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 6.9223 8.67827 6.87506 10.3338 3.70642 9.69694 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 7.0561 13.0818 6.87506 7.7346 3.70642 9.69694 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 7.8435 15.8624 9.19977 20.2438 13.1331 5.56839 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 7.8435 14.7862 7.28831 20.2438 13.1331 7.83506 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 6.78801 5.66194 7.75314 9.58379 6.95147 7.84546 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.99125 12.612 9.27009 5.4206 3.37046 8.40695 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 6.99125 12.612 9.27009 9.56763 8.30017 9.35867 numMergedOcc 0
20 mol 141 unq 2 iso 0 dist 6.77921 5.38571 6.65731 10.8548 14.5559 9.38036 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 6.11331 10.8263 9.97968 8.06621 11.6769 9.45696 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.17226 5.80425 8.92115 14.3247 11.6544 9.31569 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 8.31881 6.16503 6.88127 11.6111 4.75583 7.37629 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 8.31881 6.16503 6.88127 9.12783 3.11607 5.68985 numMergedOcc 0
25 mol 188 unq 0 iso 0 dist 7.79115 5.0782 8.66624 6.18257 3.42559 8.34477 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 5.53324 5.92931 4.19371 12.7017 9.23342 8.43182 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 8.21997 4.23527 5.31416 6.20118 3.14057 5.05626 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 8.21997 4.23527 5.31416 11.5842 8.88633 8.41013 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 9.50634 7.16782 9.31888 11.0937 7.35802 6.49413 numMergedOcc 0
30 mol 260 unq 1 iso 0 dist 9.50634 7.16782 9.31888 12.6218 9.94995 6.12343 numMergedOcc 0
31 mol 260 unq 2 iso 0 dist 9.50634 7.16782 9.31888 9.33382 12.8784 4.52405 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 8.20485 8.62248 9.63518 13.1667 9.39944 9.32971 numMergedOcc 0
