0 mol 55 unq 0 iso 0 dist 8.61209 8.57528 8.03646 4.31691 6.66861 9.89804 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 5.7638 8.24934 8.03646 6.96815 6.66861 9.89804 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 8.55679 8.24934 13.0255 6.96815 6.72084 9.89804 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.40399 9.22704 12.0124 10.6702 16.4948 9.22889 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.66549 6.27877 9.40128 4.32784 10.4828 9.18097 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 5.59846 8.54948 5.53481 4.20309 6.85867 7.01545 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.62621 8.01351 6.16048 5.75219 5.51406 6.93893 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 7.25497 7.99359 5.8424 10.4757 13.4381 9.04549 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 8.54297 8.20389 5.18427 10.2009 10.733 6.51968 numMergedOcc 0
9 mol 128 unq 1 iso 0 dist 8.54297 8.20389 5.18427 7.34304 10.7473 7.61237 numMergedOcc 0
10 mol 128 unq 2 iso 0 dist 9.35162 8.20389 3.93522 10.2009 9.49761 6.51968 numMergedOcc 0
11 mol 128 unq 3 iso 0 dist 9.35162 8.20389 3.93522 7.34304 6.03154 7.61237 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 9.99743 8.87968 7.46995 12.1363 9.51638 9.31172 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 6.01193 6.50096 4.69192 6.3638 9.73592 9.83883 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 7.40749 9.91416 4.69192 6.52401 9.73592 9.83883 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 9.33399 8.10031 7.72095 4.27187 10.2041 7.82708 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 9.8678 8.08479 17.2672 6.33919 13.2579 6.77259 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 8.00278 8.08479 15.9267 6.33919 13.2459 6.77259 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 8.78758 9.79758 5.1526 4.19643 9.21145 8.30195 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.53542 8.93979 6.05412 15.151 12.4522 9.24164 numMergedOcc 0
