0 mol 12 unq 0 iso 0 dist 8.09419 6.28065 4.76018 12.8575 7.03296 6.6691 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.09419 5.87389 7.13046 13.6979 8.98903 9.7652 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 8.09419 5.87389 7.13046 12.8575 7.03296 9.23807 numMergedOcc 0
3 mol 12 unq 3 iso 0 dist 7.86307 4.12573 4.76018 5.25583 7.03296 6.6691 numMergedOcc 0
4 mol 12 unq 4 iso 0 dist 7.86307 5.83262 7.13046 11.7981 8.98903 9.7652 numMergedOcc 0
5 mol 12 unq 5 iso 0 dist 7.86307 5.83262 7.13046 5.25583 7.03296 9.23807 numMergedOcc 0
6 mol 18 unq 0 iso 0 dist 5.03976 10.3745 8.80193 14.0283 10.3178 9.17529 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.31622 12.7532 9.32552 11.2118 4.97497 5.94373 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.11013 12.6241 9.63599 20.5456 14.7309 9.76351 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.29144 10.9396 6.51395 12.5283 8.67095 8.55826 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 5.89919 5.41268 7.75012 8.81493 5.53962 9.05678 numMergedOcc 0
11 mol 128 unq 1 iso 0 dist 5.89919 6.06511 6.98158 8.81493 5.53962 8.73383 numMergedOcc 0
12 mol 128 unq 2 iso 0 dist 8.04178 6.78058 7.75012 6.49794 5.53962 9.05678 numMergedOcc 0
13 mol 128 unq 3 iso 0 dist 8.04178 7.34304 6.98158 6.49794 5.53962 8.73383 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 9.39237 4.43511 6.50043 7.94257 5.03111 6.47434 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 7.08808 5.57422 7.30946 10.509 12.3219 8.75305 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 7.63085 6.99918 9.6096 10.1425 6.66039 6.69487 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 8.79469 7.20832 7.47932 8.36618 5.2323 7.54918 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.22583 6.15536 5.97685 10.6164 14.0045 9.2933 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.62037 4.19412 5.97685 13.0529 14.0045 9.2933 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 6.21461 4.19412 8.9289 13.0529 17.8726 9.2933 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.58887 16.018 8.90076 12.9806 5.05275 9.49129 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 8.58887 14.4465 6.62002 12.9806 5.05275 6.80544 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 5.75996 8.9959 8.08764 6.70738 4.47004 8.99609 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 7.44932 12.8119 8.08764 8.55314 4.47004 8.99609 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 8.08534 4.35114 6.66959 8.60091 4.54892 9.18477 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 5.88787 4.40079 5.40318 12.4139 9.72334 9.68583 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.28273 6.33919 9.71152 11.0051 11.7017 9.34312 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 9.28273 6.33919 9.71152 7.27283 8.46837 7.53905 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 8.66938 7.79184 5.7131 13.5479 13.074 9.5144 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 9.97399 6.25614 5.7131 8.17727 13.074 9.5144 numMergedOcc 0
