0 mol 12 unq 0 iso 0 dist 6.91627 6.7002 7.8865 6.62201 9.79847 8.10227 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.26381 6.74726 8.88413 14.9746 8.27137 11.4148 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.26381 6.61953 9.87281 14.9746 8.27137 14.1577 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.26381 5.18181 7.63928 14.9746 8.27137 14.321 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 5.29367 4.87741 6.89136 6.90794 9.37435 7.12408 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.07937 14.9314 6.88695 15.1234 9.63803 8.25132 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 6.42206 4.76147 6.88695 7.56492 9.63803 8.25132 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 9.66602 5.93227 6.88695 13.5965 9.63803 8.25132 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 8.61226 7.19972 6.88974 5.38977 5.14358 6.54878 numMergedOcc 0
9 mol 30 unq 1 iso 0 dist 8.61226 7.19972 6.88974 6.57029 7.3557 5.53425 numMergedOcc 0
10 mol 30 unq 2 iso 0 dist 6.79739 9.3487 6.88974 4.87092 5.14358 6.54878 numMergedOcc 0
11 mol 30 unq 3 iso 0 dist 6.79739 9.3487 6.88974 5.32207 7.3557 5.53425 numMergedOcc 0
12 mol 30 unq 4 iso 0 dist 5.90481 6.67111 6.88974 5.85756 5.14358 6.54878 numMergedOcc 0
13 mol 30 unq 5 iso 0 dist 5.90481 6.67111 6.88974 5.03442 7.3557 5.53425 numMergedOcc 0
14 mol 30 unq 6 iso 0 dist 6.30807 6.67111 5.5814 5.03442 8.98564 5.53425 numMergedOcc 0
15 mol 30 unq 7 iso 0 dist 6.30807 6.67111 5.5814 8.04261 7.51725 4.20285 numMergedOcc 0
16 mol 44 unq 0 iso 0 dist 9.16551 5.68567 7.78905 5.02755 5.84744 6.16718 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 7.30921 8.85156 4.23671 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 7.30921 8.85156 5.6823 numMergedOcc 0
19 mol 58 unq 2 iso 0 dist 8.68381 12.5529 6.36193 12.0249 8.85156 4.23671 numMergedOcc 0
20 mol 58 unq 3 iso 0 dist 8.68381 8.47822 4.88613 12.0249 8.85156 5.6823 numMergedOcc 0
21 mol 103 unq 0 iso 0 dist 6.79564 6.2092 4.99966 3.98194 4.49975 4.65519 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 8.21127 6.86762 5.02717 10.4345 6.31773 5.03039 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 6.30982 6.8104 7.95871 3.97496 9.79864 9.62029 numMergedOcc 0
24 mol 115 unq 2 iso 0 dist 6.30982 5.79342 9.80286 3.97496 9.79864 4.81028 numMergedOcc 0
25 mol 115 unq 3 iso 0 dist 6.12404 5.79342 6.48328 3.82475 8.42219 8.14031 numMergedOcc 0
26 mol 128 unq 0 iso 0 dist 8.98367 8.67813 8.01677 6.79263 9.45412 10.0888 numMergedOcc 0
27 mol 130 unq 0 iso 0 dist 8.87505 8.50937 5.49877 11.1633 5.82945 4.97996 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 6.83539 4.41663 9.86371 6.27023 9.31012 6.46884 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.92025 5.03598 6.11137 14.3613 9.94117 10.5937 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 5.92025 5.6375 7.89744 14.3613 9.94117 14.162 numMergedOcc 0
31 mol 244 unq 0 iso 0 dist 7.00974 9.23493 7.65388 5.9726 9.11416 6.89444 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.86805 4.97892 8.59986 6.11441 6.22195 4.74189 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 5.76223 6.62955 9.64124 4.0294 5.72473 6.80049 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 5.76223 9.5588 9.30668 4.0294 5.72473 7.8414 numMergedOcc 0
