0 mol 63 unq 0 iso 0 dist 7.09184 8.94945 8.95233 3.86843 7.7106 5.41831 9.1662 13.0828 7.01367 6.49343 numMergedOcc 0
1 mol 63 unq 1 iso 0 dist 7.09184 8.94945 8.95233 3.86843 7.7106 5.41831 11.6253 7.15477 6.60684 9.78739 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.82294 8.99491 5.9853 4.69203 7.32896 8.75668 12.7747 12.4741 15.4665 8.52643 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 9.82294 8.99491 5.9853 4.69203 7.32896 8.75668 9.67624 8.05994 9.95527 5.41357 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 7.30652 5.47319 7.0643 4.2124 8.90763 7.25721 10.5634 7.913 7.88096 9.32184 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 9.01568 6.95595 4.95201 4.18109 12.4284 9.20448 5.01633 5.19081 5.56574 8.25597 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 9.01568 6.95595 4.95201 4.01868 9.28944 6.96759 5.01633 5.19081 5.56574 4.76466 numMergedOcc 0
7 mol 75 unq 2 iso 0 dist 9.01568 6.95595 4.95201 6.54389 11.393 6.97318 5.01633 5.19081 5.56574 8.67172 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 9.32606 9.66407 14.4797 4.84752 13.7944 8.93118 6.9705 10.0449 5.17719 7.98755 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 5.13534 7.41378 4.62576 4.82806 5.86442 4.71906 11.8366 8.66115 4.681 8.92801 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 5.71182 7.117 4.66606 4.00573 6.72708 5.90092 11.34 9.6805 9.00536 8.52996 numMergedOcc 0
11 mol 236 unq 0 iso 0 dist 9.51001 5.66569 10.5269 4.60599 13.7761 5.90804 8.20542 13.8826 10.2557 8.63249 numMergedOcc 0
12 mol 236 unq 1 iso 0 dist 9.51001 5.66569 10.5269 4.60599 13.7761 5.90804 9.73914 15.4882 6.49831 7.74348 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 9.06357 7.65388 16.3995 8.49995 15.0625 9.21656 14.3026 21.4682 10.5547 7.79787 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 7.8547 8.49076 13.2618 5.02003 10.5453 8.88221 6.28023 6.75848 7.23876 9.34051 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 9.38187 7.26542 11.2254 6.53276 12.9982 9.32175 10.6184 15.1888 5.25077 9.18785 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 9.38187 7.26542 11.2254 6.53276 12.9982 9.32175 7.47179 10.1749 5.10722 6.45597 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 9.38187 7.26542 11.2254 6.53276 12.9982 9.32175 10.6184 15.1888 5.25077 9.18785 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 9.38187 7.26542 11.2254 6.53276 12.9982 9.32175 7.47179 10.1749 5.10722 6.45597 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 9.38187 7.26542 11.2254 6.53276 12.9982 9.32175 10.6184 15.1888 5.25077 9.18785 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 9.38187 7.26542 11.2254 6.53276 12.9982 9.32175 7.47179 10.1749 5.10722 6.45597 numMergedOcc 0
