0 mol 53 unq 0 iso 0 dist 9.26043 4.44768 6.64564 10.0759 7.86285 5.71432 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 9.3877 14.4544 8.39608 5.26906 7.50921 10.3685 numMergedOcc 0
2 mol 71 unq 1 iso 0 dist 9.3877 9.5115 7.28815 5.26906 7.50921 9.85206 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.41313 9.08111 8.09675 15.0948 7.69222 10.2047 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.41313 9.08111 8.09675 14.5973 5.82056 10.8441 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 9.41313 9.08111 8.09675 18.4582 9.09115 15.2203 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 9.41313 5.88754 9.02753 15.0948 7.69222 14.0199 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 9.41313 5.88754 9.02753 14.5973 5.82056 13.7625 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 9.41313 5.88754 9.02753 18.4582 9.09115 17.5374 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 8.49761 10.0549 7.67429 8.3164 8.33185 6.67053 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 7.28273 4.65559 7.13958 10.0627 9.31543 9.63308 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 7.28273 4.65559 7.13958 11.8027 8.85652 9.05571 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.72732 8.78252 7.17051 5.25744 5.9959 3.75291 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 8.87968 10.996 8.84813 10.9596 6.95244 5.21212 numMergedOcc 0
14 mol 173 unq 1 iso 0 dist 8.87968 10.996 8.84813 8.8578 6.11224 11.2286 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.72113 7.45659 5.83898 5.62911 9.77333 10.2261 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.24135 4.32962 8.57123 3.72487 6.63935 6.53531 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 7.30459 11.3783 8.40718 3.93117 5.81438 12.5259 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 8.73423 4.92057 8.40718 11.1412 5.81438 12.5259 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 7.50015 9.15581 8.99368 12.6654 9.52528 8.19502 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 8.33933 6.36131 8.99368 8.93714 9.52528 8.19502 numMergedOcc 0
21 mol 252 unq 2 iso 0 dist 5.95029 5.86631 8.99368 3.9962 9.52528 8.19502 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.2681 4.69007 8.32005 10.3367 8.59229 8.84052 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 8.2681 4.69007 8.32005 5.12941 7.33165 3.97177 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 8.2681 4.69007 8.32005 9.06733 9.66967 10.8314 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.88518 3.89286 9.17911 9.29502 9.6327 11.5766 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.88518 16.57 9.52903 9.29502 9.6327 11.7204 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 9.44669 14.7095 9.46746 14.2548 9.81589 9.21014 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 9.44669 9.9782 7.31698 14.2548 9.81589 4.58093 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 7.86721 9.33832 6.39586 9.50243 9.24104 6.32559 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 7.60676 4.35391 6.0218 9.85019 7.4869 5.55901 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 9.04355 12.8871 6.76192 8.83056 7.19568 5.64662 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 9.04355 12.8871 6.76192 8.83056 7.19568 5.64662 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 9.04355 12.8871 6.76192 8.83056 7.19568 5.64662 numMergedOcc 0
