0 mol 7 unq 0 iso 0 dist 4.47024 5.3595 9.33703 4.91115 8.60435 6.71084 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.29595 14.1289 7.38646 16.5531 8.55446 5.09857 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.29595 14.1289 7.38646 14.2823 6.59455 5.86578 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.29595 14.1289 7.38646 11.69 5.71201 10.699 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.93801 6.91195 9.72597 7.46244 6.74848 13.3326 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.91206 14.1204 8.0534 6.41591 7.62738 14.9324 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.67513 15.8898 8.0534 9.55939 7.62738 14.9324 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 6.59253 9.00615 5.50645 6.05353 7.6433 5.78327 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.73842 7.22809 6.07991 14.9324 9.35942 14.3305 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.84146 9.96709 7.20629 15.2909 8.8562 9.25614 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.84146 9.96709 7.20629 4.96177 7.91683 5.53673 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 7.68174 13.0938 9.31118 8.31794 5.94233 5.23583 numMergedOcc 0
12 mol 126 unq 1 iso 0 dist 7.68174 13.0938 9.31118 9.33341 8.56219 11.0459 numMergedOcc 0
13 mol 126 unq 2 iso 0 dist 7.68174 4.63152 8.44104 8.31794 5.94233 7.25449 numMergedOcc 0
14 mol 126 unq 3 iso 0 dist 7.68174 4.63152 8.44104 9.33341 8.56219 11.2199 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 9.29539 10.5262 8.67619 15.8699 9.79069 17.985 numMergedOcc 0
16 mol 163 unq 1 iso 0 dist 9.29539 10.5262 8.67619 6.48748 9.27496 8.49413 numMergedOcc 0
17 mol 163 unq 2 iso 0 dist 9.02124 9.2969 8.67619 17.0667 9.79069 17.985 numMergedOcc 0
18 mol 163 unq 3 iso 0 dist 9.02124 9.2969 8.67619 15.7737 9.27496 8.49413 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 4.97005 9.36078 5.31166 5.80701 7.46987 9.11826 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 7.60925 4.80815 9.61475 5.8971 9.72138 5.5411 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 7.60925 9.19827 9.68034 5.8971 9.72138 4.86867 numMergedOcc 0
22 mol 220 unq 2 iso 0 dist 7.60925 11.6562 8.1579 5.8971 9.72138 8.80812 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 9.04499 15.0661 7.11989 13.0565 9.08955 10.4275 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 9.04499 15.0661 7.11989 15.9525 8.88664 9.86636 numMergedOcc 0
25 mol 222 unq 2 iso 0 dist 9.04499 15.0661 7.11989 15.2255 7.16819 5.78833 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 7.11691 11.1133 4.80092 8.64133 9.18635 10.8122 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.84798 16.3239 7.84195 10.8394 9.30921 13.3542 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 8.84798 12.5605 9.2174 10.8394 9.30921 12.0995 numMergedOcc 0
