0 mol 0 unq 0 iso 0 dist 7.31837 7.65884 8.34244 5.66453 6.64713 4.04089 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.8978 6.67398 9.57198 5.3866 8.076 6.81435 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.8978 6.67398 9.57198 10.6991 6.32226 13.6861 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 6.26276 9.03359 9.57198 6.49896 8.076 6.81435 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 6.26276 9.03359 9.57198 5.55187 6.32226 13.6861 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.44507 6.77783 5.497 14.6525 9.5053 14.3325 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 5.66743 11.6846 7.60283 5.82138 7.45532 14.2471 numMergedOcc 0
7 mol 27 unq 1 iso 0 dist 7.42669 8.05284 7.60283 9.93763 7.45532 14.2471 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 5.84625 10.3974 7.6481 9.05877 6.62229 5.36808 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 5.84625 9.80755 9.11258 9.05877 6.62229 9.17656 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.94696 9.47873 6.0129 11.7159 8.43352 13.6622 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.16592 7.62048 7.09065 15.7109 9.5669 10.2428 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.96382 5.37126 8.809 5.84023 9.17466 7.70536 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 8.96382 4.7832 5.79343 5.84023 9.17466 4.69847 numMergedOcc 0
14 mol 114 unq 2 iso 0 dist 8.27794 8.32999 9.83981 11.393 9.35942 8.36453 numMergedOcc 0
15 mol 114 unq 3 iso 0 dist 8.27794 8.32999 9.83981 13.5888 7.42482 17.1979 numMergedOcc 0
16 mol 114 unq 4 iso 0 dist 8.27794 5.28095 6.13559 11.393 9.35942 6.22315 numMergedOcc 0
17 mol 114 unq 5 iso 0 dist 8.27794 5.28095 6.13559 13.5888 7.42482 13.0539 numMergedOcc 0
18 mol 114 unq 6 iso 0 dist 8.27794 11.5542 6.51395 11.393 9.35942 6.18257 numMergedOcc 0
19 mol 114 unq 7 iso 0 dist 8.27794 11.5542 6.51395 13.5888 7.42482 10.4498 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 6.66022 5.46352 5.60389 5.01124 8.85881 6.03931 numMergedOcc 0
21 mol 116 unq 0 iso 0 dist 7.6005 8.76048 7.35992 13.0273 8.79367 7.50935 numMergedOcc 0
22 mol 116 unq 1 iso 0 dist 7.6005 5.79458 6.49383 13.0273 8.79367 12.4955 numMergedOcc 0
23 mol 116 unq 2 iso 0 dist 8.7583 11.4263 7.35992 13.1111 8.79367 7.50935 numMergedOcc 0
24 mol 116 unq 3 iso 0 dist 8.7583 9.91115 6.49383 13.1111 8.79367 12.4955 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.4733 6.02826 7.26955 6.64646 9.9151 9.0892 numMergedOcc 0
26 mol 126 unq 0 iso 0 dist 8.97111 4.56139 7.36017 5.93497 5.94233 5.83002 numMergedOcc 0
27 mol 135 unq 0 iso 0 dist 5.43728 8.84854 9.15377 12.9549 9.40325 9.3453 numMergedOcc 0
28 mol 135 unq 1 iso 0 dist 5.43728 8.84854 9.15377 5.43919 8.25527 5.7001 numMergedOcc 0
29 mol 135 unq 2 iso 0 dist 5.43728 8.84854 9.15377 7.00502 8.83856 14.2456 numMergedOcc 0
30 mol 173 unq 0 iso 0 dist 9.51638 12.905 6.64779 7.11509 8.03528 10.2821 numMergedOcc 0
31 mol 243 unq 0 iso 0 dist 8.55613 10.4928 7.12785 4.2759 7.44706 8.16841 numMergedOcc 0
32 mol 243 unq 1 iso 0 dist 8.55613 4.20431 6.66959 4.2759 7.44706 6.03041 numMergedOcc 0
33 mol 253 unq 0 iso 0 dist 9.69704 8.75798 9.58354 9.82329 8.15091 14.5407 numMergedOcc 0
34 mol 257 unq 0 iso 0 dist 9.34004 7.73649 8.60481 5.21929 9.43042 5.04668 numMergedOcc 0
