0 mol 11 unq 0 iso 0 dist 6.12043 9.88519 6.24549 8.89652 10.4195 8.06254 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 9.1487 8.58416 10.8649 11.3284 16.5833 9.68286 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.00814 7.38868 9.7068 8.27485 12.5041 8.14607 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.52282 8.22984 10.0156 5.35519 10.1666 6.6157 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.52282 8.22984 10.0156 9.94989 13.9123 7.37771 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 6.31232 7.55095 5.34732 5.88837 10.3665 9.13301 numMergedOcc 0
6 mol 124 unq 1 iso 0 dist 6.79597 9.13301 8.85132 5.88837 7.17224 7.55095 numMergedOcc 0
7 mol 124 unq 2 iso 0 dist 7.17224 7.55095 8.85132 5.88837 6.79597 9.13301 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 6.45502 9.58371 5.97811 7.26245 8.66056 7.13199 numMergedOcc 0
9 mol 158 unq 1 iso 0 dist 8.66056 7.13199 5.97811 7.26245 6.45502 9.58371 numMergedOcc 0
10 mol 158 unq 2 iso 0 dist 8.34722 7.13199 7.86938 7.26245 10.8796 9.58371 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 9.39563 5.11863 8.78943 6.72547 7.51045 5.92785 numMergedOcc 0
12 mol 184 unq 1 iso 0 dist 7.51045 5.92785 8.78943 6.72547 9.39563 5.11863 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 5.12798 8.95218 5.30923 15.9216 14.5458 9.84034 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 5.12798 8.95218 5.30923 14.8373 12.6304 8.07237 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.42784 7.88169 6.23427 5.89206 6.11123 9.46179 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 6.11123 9.46179 6.23427 5.89206 7.42784 7.88169 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.09371 5.87056 7.15779 7.06479 13.2082 9.55881 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 8.27377 8.70383 10.9823 11.7205 17.1809 7.06589 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 8.89938 8.16917 7.21193 13.7606 12.0839 5.9131 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 9.11602 8.82948 15.3271 12.8716 20.3377 5.62568 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 9.11602 8.82948 15.3271 12.8716 20.3377 5.62568 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 9.11602 8.82948 15.3271 12.8716 20.3377 5.62568 numMergedOcc 0
