0 mol 32 unq 0 iso 0 dist 7.88576 14.4244 8.68559 13.2665 5.57199 7.26268 10.2167 7.48825 6.68431 8.74576 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 7.50886 9.09179 6.73814 10.8728 4.81369 5.7144 10.9258 8.39249 6.95201 5.51885 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 8.42219 5.65471 6.39384 10.3316 6.40036 10.7942 8.0168 numMergedOcc 0
3 mol 155 unq 0 iso 0 dist 7.62575 10.4606 7.51198 7.25009 4.48516 8.97626 8.63858 11.3251 12.8482 7.29911 numMergedOcc 0
4 mol 155 unq 1 iso 0 dist 7.62575 10.4606 7.51198 7.25009 4.48516 8.97626 4.40049 7.37901 8.27726 5.36254 numMergedOcc 0
5 mol 167 unq 0 iso 0 dist 9.19849 8.66436 8.62646 10.7297 4.15547 7.20495 14.8219 11.5173 6.36909 9.1326 numMergedOcc 0
6 mol 167 unq 1 iso 0 dist 9.19849 8.66436 8.62646 11.5835 6.24722 7.02548 14.8219 11.5173 6.36909 7.30954 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 9.70025 6.20895 7.37327 11.2633 4.88823 6.64173 12.6239 11.691 6.7991 9.09234 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 9.70025 6.20895 7.37327 13.7526 14.8923 9.01624 12.6239 11.691 6.7991 6.76746 numMergedOcc 0
9 mol 181 unq 2 iso 0 dist 9.70025 6.20895 7.37327 14.0199 14.2334 9.55105 12.6239 11.691 6.7991 8.92098 numMergedOcc 0
10 mol 219 unq 0 iso 0 dist 7.1158 5.0241 4.87541 6.52136 3.78261 4.33238 6.16486 9.37299 4.74167 7.30481 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 9.94175 14.9782 6.55759 22.5495 15.4844 9.12776 15.9589 11.4385 8.82861 9.84652 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 8.81534 9.85437 6.55759 17.4614 15.4844 9.12776 17.5485 11.4385 8.82861 9.84652 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 9.46582 9.23693 7.67322 8.56975 9.75095 9.12776 14.0686 6.5772 8.82861 9.84652 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 9.77231 9.18011 9.29858 8.56975 11.7938 9.72188 14.0686 10.9442 15.5674 9.84652 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 8.46351 5.59901 7.76676 10.7775 7.27192 8.03219 4.09442 9.64797 5.31048 8.84648 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 8.46351 5.59901 7.76676 4.95855 4.61451 6.9899 4.09442 9.64797 5.31048 6.23661 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 8.62431 4.56913 6.50589 4.97796 5.70568 6.4611 5.95459 8.49866 5.31116 6.66172 numMergedOcc 0
