0 mol 93 unq 0 iso 0 dist 8.6701 12.4843 7.13064 7.0652 5.56839 9.6722 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 6.85457 12.4843 7.8962 7.0652 7.83506 9.6722 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 8.48638 12.0088 9.2062 6.52658 6.07633 6.04036 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 6.37224 6.89318 9.6403 7.6171 5.51053 5.9186 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.29394 7.04318 9.52442 5.04742 9.42762 9.9391 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 8.29394 7.04318 9.52442 11.4019 7.30244 14.0666 numMergedOcc 0
6 mol 123 unq 2 iso 0 dist 5.98534 5.76997 9.52442 5.02162 9.42762 9.9391 numMergedOcc 0
7 mol 123 unq 3 iso 0 dist 5.98534 5.76997 9.52442 8.90549 7.30244 14.0666 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.3604 7.65385 8.71007 14.4172 6.90583 9.65579 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 9.3604 7.65385 8.71007 4.55176 6.75593 5.93647 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 9.3604 7.65385 8.71007 3.87386 8.83562 8.51016 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 5.53183 7.24521 9.77522 5.76262 9.59327 9.03848 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 5.53183 7.24521 9.77522 4.09924 8.51399 5.58015 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 7.91633 12.9486 7.46919 5.96797 5.75959 7.34563 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 8.94451 12.9486 8.24581 5.96797 6.6946 7.34563 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 8.11909 13.33 7.36989 6.35328 5.4798 7.33121 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 9.21219 13.33 8.17805 6.35328 6.32391 7.33121 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.27978 11.9253 5.4455 12.2934 8.43182 11.7008 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 9.07838 12.9896 7.63191 6.25233 8.4493 9.311 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 8.70651 15.6085 8.27761 8.26136 9.78273 11.775 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.47906 5.35817 9.24164 7.01256 8.25623 11.0658 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 7.47906 5.35817 9.24164 3.72284 8.77098 5.67885 numMergedOcc 0
22 mol 279 unq 2 iso 0 dist 7.47906 5.35817 9.24164 8.358 9.78784 13.3369 numMergedOcc 0
23 mol 279 unq 3 iso 0 dist 8.56844 11.6396 9.24164 13.2258 8.25623 11.0658 numMergedOcc 0
24 mol 279 unq 4 iso 0 dist 8.56844 11.6396 9.24164 7.1735 8.77098 5.67885 numMergedOcc 0
25 mol 279 unq 5 iso 0 dist 8.56844 11.6396 9.24164 7.41722 9.78784 13.3369 numMergedOcc 0
