0 mol 1 unq 0 iso 0 dist 5.87976 8.3673 5.06184 4.1868 8.71167 12.042 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.53312 6.62508 7.77448 5.60162 5.9948 9.77719 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.9948 9.77719 7.77448 5.60162 6.53312 6.62508 numMergedOcc 0
3 mol 135 unq 0 iso 0 dist 6.29701 8.55869 5.56349 4.67118 6.1777 10.575 numMergedOcc 0
4 mol 135 unq 1 iso 0 dist 6.29701 6.65965 5.46698 4.67118 6.1777 9.69065 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 7.80661 6.31404 10.7383 5.16064 8.55237 11.438 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 8.80094 8.96534 3.90323 4.23264 8.07126 9.02836 numMergedOcc 0
7 mol 168 unq 1 iso 0 dist 8.80094 8.65328 6.97182 4.23264 8.07126 10.9318 numMergedOcc 0
8 mol 168 unq 2 iso 0 dist 8.80094 5.69346 13.358 4.23264 8.07126 8.55388 numMergedOcc 0
9 mol 168 unq 3 iso 0 dist 9.03681 8.96534 15.9598 13.9418 9.69111 22.6166 numMergedOcc 0
10 mol 168 unq 4 iso 0 dist 9.03681 8.65328 16.9458 13.9418 9.69111 21.8023 numMergedOcc 0
11 mol 168 unq 5 iso 0 dist 9.03681 5.69346 4.92763 13.9418 9.69111 12.9116 numMergedOcc 0
12 mol 168 unq 6 iso 0 dist 8.07126 9.02836 3.90323 4.23264 8.80094 8.96534 numMergedOcc 0
13 mol 168 unq 7 iso 0 dist 8.07126 8.55388 13.358 4.23264 8.80094 5.69346 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 7.7195 7.87612 13.0669 7.10314 8.30819 11.2126 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 8.30819 5.98495 9.74745 7.10314 7.7195 10.7954 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 7.09902 7.79426 3.98113 12.0061 8.73545 12.6108 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 5.1766 5.91328 8.61196 9.70746 9.31969 15.4771 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 5.1766 6.02146 10.4256 9.70746 9.31969 14.8191 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 4.76689 6.54521 6.73886 8.62358 8.79012 9.85302 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 8.79012 7.97307 9.0549 8.62358 4.76689 10.7533 numMergedOcc 0
21 mol 260 unq 2 iso 0 dist 8.79012 8.52702 17.1277 8.62358 4.76689 15.7202 numMergedOcc 0
22 mol 270 unq 0 iso 0 dist 4.60602 9.34963 12.8011 6.19764 6.62637 12.2451 numMergedOcc 0
23 mol 270 unq 1 iso 0 dist 6.62637 9.6012 12.2628 6.19764 4.60602 10.3328 numMergedOcc 0
