0 mol 34 unq 0 iso 0 dist 8.16494 4.28439 6.24711 12.8217 14.0576 9.58596 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.99509 11.0512 6.66407 14.4079 5.64171 7.24352 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 8.25679 5.7326 7.51139 13.0068 9.14315 8.72458 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 5.25504 5.72671 5.51831 7.485 6.60299 6.65534 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.5258 4.03471 4.22363 10.2259 9.97869 7.34602 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 8.75736 15.5753 7.99477 18.7004 10.9332 8.48313 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 6.76166 11.8593 7.99477 16.9928 10.9332 8.48313 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 5.41229 4.00111 7.06025 8.56251 10.1489 8.25282 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 7.09426 12.6481 7.2793 13.1061 6.87725 8.31881 numMergedOcc 0
9 mol 234 unq 0 iso 0 dist 8.9413 14.075 7.81215 18.4239 11.113 9.08151 numMergedOcc 0
10 mol 234 unq 1 iso 0 dist 4.91961 4.84686 7.81215 7.46311 11.113 9.08151 numMergedOcc 0
11 mol 234 unq 2 iso 0 dist 7.14333 4.84686 5.64285 7.46311 5.52595 9.08151 numMergedOcc 0
12 mol 235 unq 0 iso 0 dist 8.79626 9.92254 5.1823 15.3883 6.65703 9.11454 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 6.92721 3.45727 6.73665 11.431 13.1624 8.88763 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 6.92721 3.45727 6.73665 9.26604 7.34872 6.43209 numMergedOcc 0
15 mol 239 unq 2 iso 0 dist 6.92721 3.45727 6.73665 11.226 8.9361 8.48769 numMergedOcc 0
16 mol 267 unq 0 iso 0 dist 6.19138 6.43871 7.34981 10.1669 9.163 7.60505 numMergedOcc 0
17 mol 267 unq 1 iso 0 dist 6.54381 5.40798 7.34981 11.8139 9.163 7.60505 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 7.11081 5.04876 9.46442 10.839 9.84292 9.2558 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 7.11081 5.37135 7.30758 10.839 9.84292 9.84946 numMergedOcc 0
20 mol 292 unq 2 iso 0 dist 8.99442 6.17318 9.9182 15.0037 16.2289 9.84946 numMergedOcc 0
