0 mol 7 unq 0 iso 0 dist 9.97624 8.81608 5.5683 13.0969 6.14469 10.3333 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.50647 9.51568 5.20798 6.19131 6.03257 6.23015 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 6.93185 9.35562 3.76294 8.23299 8.60289 10.9282 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 6.93185 8.63857 12.9404 8.23299 8.60289 14.9317 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.63839 8.53931 5.38592 6.06874 8.88938 6.53269 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 6.15893 9.06516 5.29055 7.26595 7.35861 12.3279 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 6.15893 6.79475 6.64374 7.26595 7.35861 9.96912 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 5.497 9.06516 4.76998 11.553 6.56527 6.81793 numMergedOcc 0
8 mol 26 unq 3 iso 0 dist 5.497 6.79475 5.39199 11.553 6.56527 9.82888 numMergedOcc 0
9 mol 32 unq 0 iso 0 dist 4.62858 8.74576 6.30042 5.52033 8.5315 13.9483 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.03226 9.4866 10.1364 9.24521 8.95905 15.2551 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.63599 6.52939 9.51372 6.49291 9.78384 7.43127 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.63599 6.52939 9.51372 11.51 8.87742 15.1749 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 9.63599 6.52939 9.51372 7.82761 4.93468 10.8054 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 6.0129 4.44979 3.92737 10.2677 7.36769 9.25444 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 6.0129 4.44979 3.92737 5.71029 6.88901 8.46823 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 6.0129 6.61111 3.94967 10.2677 7.36769 9.84703 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 6.0129 6.61111 3.94967 5.71029 6.88901 4.62494 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.26955 6.55202 10.3622 4.48922 7.20249 9.6153 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 7.26955 9.08536 14.9264 4.48922 7.20249 12.1959 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 7.75012 6.47811 10.5938 3.98036 7.48321 9.24508 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 7.41399 8.55349 11.4316 6.61001 6.84835 13.1039 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 9.50664 8.55349 6.24625 11.5342 8.95662 8.83732 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 6.71555 8.55349 6.11861 6.61001 8.42748 13.1039 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 6.87262 6.84165 5.46083 10.6436 6.84835 11.8288 numMergedOcc 0
25 mol 133 unq 4 iso 0 dist 6.87262 6.84165 5.46083 9.01682 8.42748 12.2289 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.55616 6.44575 11.5269 10.6595 6.40575 13.3808 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 8.55616 7.43401 6.93712 10.6595 6.40575 10.1824 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 7.05653 9.09234 4.98436 9.67649 9.92471 14.2797 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 7.05653 6.76746 11.9796 9.67649 9.92471 15.0909 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 7.05653 8.92098 12.3589 9.67649 9.92471 17.3467 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 8.52969 7.10155 7.41775 4.26755 6.38324 9.00322 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 8.52969 7.10155 7.41775 11.8663 6.1886 11.7017 numMergedOcc 0
33 mol 194 unq 2 iso 0 dist 8.52969 6.11135 11.4789 4.26755 6.38324 9.94082 numMergedOcc 0
34 mol 194 unq 3 iso 0 dist 8.52969 6.11135 11.4789 11.8663 6.1886 15.4857 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 6.73446 8.69525 10.3346 11.5793 5.92374 12.1725 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.20749 6.66172 5.39432 4.60275 9.16942 8.60027 numMergedOcc 0
