0 mol 41 unq 0 iso 0 dist 9.59131 6.51139 13.4526 8.79418 17.7831 6.35506 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.72531 9.04514 4.91237 12.2639 12.5605 8.8645 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.74131 5.55798 4.20398 4.95654 11.4057 7.82966 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 7.74131 5.55798 4.20398 10.0025 12.2455 8.26763 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 7.74131 5.55798 4.20398 6.35003 10.2188 6.30814 numMergedOcc 0
5 mol 79 unq 3 iso 0 dist 7.74131 5.55798 4.20398 3.45432 7.58743 7.318 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.06034 5.81553 5.73618 3.82552 9.26141 6.6536 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.53731 8.79677 6.76815 13.0649 10.8728 8.40389 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.91762 8.02356 5.49557 5.05961 7.25009 8.99128 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 9.76722 5.60956 4.65845 9.43003 9.23064 8.18217 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 9.76722 5.60956 4.65845 8.01699 7.30338 5.51167 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 8.44483 6.09291 11.8115 6.22697 10.7469 7.06772 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 9.79864 6.09291 12.8928 6.22697 15.4495 7.06772 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 9.73241 6.09291 11.3409 6.22697 15.034 7.06772 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 9.80584 5.21088 8.61606 3.81315 10.8599 7.75405 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 9.80584 8.25609 4.97164 3.81315 10.8599 7.49971 numMergedOcc 0
16 mol 192 unq 2 iso 0 dist 9.80584 8.25609 4.97164 9.53633 11.9648 9.07427 numMergedOcc 0
17 mol 192 unq 3 iso 0 dist 7.95713 5.21088 5.41356 3.81315 8.8637 7.75405 numMergedOcc 0
18 mol 192 unq 4 iso 0 dist 7.95713 8.25609 4.87986 3.81315 8.8637 7.49971 numMergedOcc 0
19 mol 192 unq 5 iso 0 dist 7.95713 8.25609 4.87986 9.53633 12.9151 9.07427 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.97651 9.35664 11.0735 14.1853 19.6317 9.20541 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 8.97651 9.35664 11.0735 6.61517 11.6628 6.65077 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 9.80133 7.20629 6.66728 3.85716 13.0541 8.93995 numMergedOcc 0
23 mol 233 unq 1 iso 0 dist 9.80133 6.5622 5.24667 3.85716 13.0541 9.97397 numMergedOcc 0
24 mol 233 unq 2 iso 0 dist 7.74693 9.44671 11.8011 13.5179 18.8438 8.93995 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 7.82564 5.83514 5.64173 3.68226 7.13727 5.52788 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 9.51177 5.83514 4.11566 3.68226 8.56975 5.52788 numMergedOcc 0
27 mol 247 unq 0 iso 0 dist 9.65548 9.75065 15.7979 7.1875 15.1366 6.84199 numMergedOcc 0
28 mol 247 unq 1 iso 0 dist 8.05213 9.75065 9.58184 7.1875 10.1198 6.84199 numMergedOcc 0
29 mol 247 unq 2 iso 0 dist 8.67304 9.75065 4.80559 7.1875 9.01651 6.84199 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 8.36393 5.90728 4.01355 5.14231 7.81241 5.32876 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 8.36393 5.90728 4.01355 4.25884 9.52445 7.60296 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 9.39409 6.96248 4.03583 11.9352 10.5491 8.43856 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 9.39409 6.96248 4.03583 11.9352 10.5491 8.43856 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 9.39409 6.96248 4.03583 11.9352 10.5491 8.43856 numMergedOcc 0
