0 mol 62 unq 0 iso 0 dist 6.42645 11.5076 6.51901 7.49995 4.46067 4.29679 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 6.42645 12.7433 9.1926 7.49995 4.46067 8.07308 numMergedOcc 0
2 mol 120 unq 0 iso 0 dist 8.93999 12.7437 8.44206 4.03393 9.31385 10.0743 numMergedOcc 0
3 mol 120 unq 1 iso 0 dist 8.93999 12.7437 8.44206 8.26567 6.98791 5.56137 numMergedOcc 0
4 mol 120 unq 2 iso 0 dist 8.93999 12.902 9.78884 4.03393 9.31385 10.2233 numMergedOcc 0
5 mol 120 unq 3 iso 0 dist 8.93999 12.902 9.78884 8.26567 6.98791 7.75617 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 9.85144 6.90284 7.41568 8.75597 5.36214 3.61945 numMergedOcc 0
7 mol 123 unq 1 iso 0 dist 5.80266 7.66722 7.41568 7.36026 5.36214 3.61945 numMergedOcc 0
8 mol 123 unq 2 iso 0 dist 5.18305 7.63835 8.09682 6.45068 5.56127 3.61945 numMergedOcc 0
9 mol 123 unq 3 iso 0 dist 6.78431 7.63835 7.41568 6.45068 5.36214 3.61945 numMergedOcc 0
10 mol 123 unq 4 iso 0 dist 6.60464 4.43198 7.41568 6.36283 5.36214 3.61945 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 5.35509 6.00072 8.14978 5.22187 4.88514 9.809 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 9.06347 6.16955 4.55528 4.86105 5.10542 4.02402 numMergedOcc 0
13 mol 194 unq 1 iso 0 dist 9.06347 11.4183 6.88386 4.86105 5.10542 8.31549 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 8.50234 4.7869 8.09863 8.70089 8.54737 6.29741 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 8.50234 4.7869 8.09863 5.77393 7.64057 3.88406 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 7.86605 7.67515 5.90026 7.85961 7.93317 5.16198 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 7.86605 6.97521 8.86496 7.85961 7.93317 10.4575 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 7.48115 10.5306 7.43884 5.11028 7.80711 11.4637 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.48115 10.5306 7.43884 15.2885 9.9965 12.3524 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 8.08382 13.5638 9.14217 6.1158 4.68668 9.84883 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 8.08382 13.5638 9.14217 6.1158 4.68668 9.84883 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 8.08382 13.5638 9.14217 6.1158 4.68668 9.84883 numMergedOcc 0
