0 mol 41 unq 0 iso 0 dist 8.6783 6.74265 10.8697 7.85477 5.31016 12.9463 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.60396 5.5483 5.41731 10.6703 9.38335 10.8311 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.48969 9.30432 5.41731 4.14061 9.38335 10.8311 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.61209 8.57528 8.03646 4.31691 6.66861 9.89804 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 5.7638 8.24934 8.03646 6.96815 6.66861 9.89804 numMergedOcc 0
5 mol 55 unq 2 iso 0 dist 8.55679 8.24934 13.0255 6.96815 6.72084 9.89804 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.40399 9.22704 12.0124 6.0425 9.78129 11.625 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 5.59846 7.98124 3.8048 4.20309 6.85867 10.3829 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 5.59846 8.54948 5.53481 4.20309 6.85867 7.01545 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.62621 8.01351 6.16048 5.75219 5.51406 6.93893 numMergedOcc 0
10 mol 91 unq 1 iso 0 dist 7.62621 8.98201 14.1282 5.75219 5.51406 14.0029 numMergedOcc 0
11 mol 91 unq 2 iso 0 dist 7.62621 6.4026 9.28675 5.75219 5.51406 10.7696 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 9.35162 8.20389 3.93522 10.2009 9.49761 6.51968 numMergedOcc 0
13 mol 128 unq 1 iso 0 dist 9.35162 8.20389 3.93522 7.34304 6.03154 7.61237 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.03774 8.89564 10.2758 4.20676 8.58172 12.2669 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 7.03774 8.89564 10.2758 6.9174 8.94585 15.5291 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.22456 8.13344 16.4289 8.11294 9.04845 13.074 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 5.7232 8.13344 6.49614 8.11294 6.72323 13.074 numMergedOcc 0
18 mol 146 unq 0 iso 0 dist 5.3184 6.70014 11.6962 9.68961 7.13378 13.7411 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 9.99743 8.87968 7.46995 12.1363 9.51638 9.31172 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 6.01193 6.50096 4.69192 6.3638 9.73592 9.83883 numMergedOcc 0
21 mol 233 unq 1 iso 0 dist 7.40749 9.91416 4.69192 6.52401 9.73592 9.83883 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.6856 9.44669 6.30651 6.60614 9.58735 12.2361 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 9.98868 9.44669 10.8524 6.60614 8.12414 12.2361 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.78758 9.79758 5.1526 4.19643 9.21145 8.30195 numMergedOcc 0
