0 mol 25 unq 0 iso 0 dist 9.07927 6.44262 7.31767 8.69224 7.23535 7.03372 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 6.44262 6.03987 8.69224 9.92243 7.03372 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.96797 6.5822 7.58835 11.1961 5.84319 8.27463 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 9.6112 9.99897 7.34143 15.5809 9.53385 6.22221 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 6.08894 6.01116 7.34143 11.511 9.53385 6.22221 numMergedOcc 0
5 mol 52 unq 2 iso 0 dist 9.02308 4.98024 7.34143 9.52076 9.53385 6.22221 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.36475 5.66392 6.97941 5.61831 3.69293 7.61521 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 8.71603 9.86323 9.36773 9.89826 10.8406 9.07128 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 8.71603 9.86323 9.36773 5.43098 4.47193 6.65615 numMergedOcc 0
9 mol 88 unq 2 iso 0 dist 8.71603 5.3018 8.31336 5.43098 4.47193 5.07548 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 7.42893 5.81947 6.57035 9.26699 7.89838 9.23765 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.13413 9.79513 7.71338 12.3411 4.69658 6.87434 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.34456 4.83846 5.86073 9.27028 5.37655 7.02367 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 9.34456 4.83846 5.86073 12.5801 5.46207 9.30832 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 9.41521 8.90504 6.44653 8.31527 5.61274 7.53694 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 9.41521 8.90504 6.44653 7.64841 3.35803 8.38358 numMergedOcc 0
16 mol 180 unq 0 iso 0 dist 7.24785 14.0966 9.62337 11.4264 4.38407 9.63576 numMergedOcc 0
17 mol 180 unq 1 iso 0 dist 7.53287 14.0344 9.62337 11.6845 4.38407 9.63576 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 5.27188 5.34337 7.32223 8.34984 5.85692 9.19385 numMergedOcc 0
19 mol 253 unq 1 iso 0 dist 5.27188 5.34337 7.32223 10.7465 9.00842 7.14243 numMergedOcc 0
20 mol 253 unq 2 iso 0 dist 5.27188 5.34337 7.32223 10.7185 11.5574 5.77511 numMergedOcc 0
21 mol 253 unq 3 iso 0 dist 5.27188 5.34337 7.32223 11.9461 12.8384 7.81382 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 6.86014 4.83355 9.7748 7.34927 7.75371 5.69112 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 6.86014 4.83355 9.7748 10.4568 11.3546 7.2091 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 5.97073 11.2857 9.7748 7.54315 7.75371 5.69112 numMergedOcc 0
25 mol 277 unq 3 iso 0 dist 5.97073 11.2857 9.7748 9.71134 11.3546 7.2091 numMergedOcc 0
26 mol 277 unq 4 iso 0 dist 6.49176 14.4976 9.7748 10.0835 7.75371 5.69112 numMergedOcc 0
27 mol 277 unq 5 iso 0 dist 6.49176 14.4976 9.7748 12.6635 11.3546 7.2091 numMergedOcc 0
