0 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 11.4878 7.2199 5.80437 5.8245 3.91075 9.71516 9.81658 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 11.4878 7.2199 8.27962 9.29529 5.80437 5.8245 3.91075 9.81658 9.71516 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.68559 7.93694 7.18766 6.68431 7.48825 9.61004 13.8141 6.49199 9.65897 13.9281 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 8.68559 6.68431 7.48825 7.93694 7.18766 9.61004 7.26268 5.57199 8.74576 10.1386 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.40841 4.55117 8.80108 5.64209 6.50297 7.57085 9.97819 10.7257 7.60018 13.4799 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.40841 4.55117 8.80108 5.64209 6.50297 7.57085 8.69057 11.0945 7.03126 13.3982 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 7.58407 14.7581 8.80108 8.74789 6.50297 7.57085 18.2125 10.7257 7.60018 13.4799 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 7.58407 14.7581 8.80108 8.74789 6.50297 7.57085 18.0198 11.0945 7.03126 13.3982 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 6.31428 10.3782 8.80108 7.02095 6.50297 7.57085 14.4477 10.7257 7.60018 13.4799 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 6.31428 10.3782 8.80108 7.02095 6.50297 7.57085 13.1897 11.0945 7.03126 13.3982 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 10.7102 5.11318 9.37102 7.93683 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 9.55118 6.74416 5.4605 6.7272 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 12.111 10.7904 6.53824 9.99874 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 7.321 7.17489 8.59747 7.11552 9.19459 4.64409 10.7102 5.11318 7.93683 9.37102 numMergedOcc 0
14 mol 72 unq 4 iso 0 dist 7.321 7.17489 8.59747 7.11552 9.19459 4.64409 9.55118 6.74416 6.7272 5.4605 numMergedOcc 0
15 mol 72 unq 5 iso 0 dist 7.321 7.17489 8.59747 7.11552 9.19459 4.64409 9.10345 5.63793 7.64009 10.8476 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 6.73814 6.95201 8.39249 12.1324 9.86739 7.68699 5.7144 4.81369 5.51885 10.4222 numMergedOcc 0
17 mol 114 unq 1 iso 0 dist 6.73814 6.95201 8.39249 5.9968 8.93623 10.0883 5.7144 4.81369 5.51885 10.4626 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.76729 10.2377 6.40036 6.34759 7.99631 9.37623 6.24825 5.78043 7.65255 10.2461 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 6.68292 11.1063 8.74171 4.93472 6.85195 7.39803 12.3088 7.09198 5.461 10.1665 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 7.12954 9.36396 15.6443 8.1945 3.92979 8.91356 9.59574 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 5.50387 10.7506 8.75834 7.12954 9.36396 15.6443 14.181 9.35263 9.57455 18.5825 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 5.50387 7.12954 9.36396 10.7506 8.75834 15.6443 8.1945 3.92979 9.59574 8.91356 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 12.1076 9.6101 10.9755 7.81215 11.8229 9.11572 7.20293 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 9.5707 12.1076 9.6101 5.56749 8.49841 10.9755 7.81215 11.8229 7.20293 9.11572 numMergedOcc 0
25 mol 243 unq 0 iso 0 dist 8.61104 6.55284 9.1101 10.5389 8.93338 8.07376 10.6962 10.106 9.33476 15.4715 numMergedOcc 0
26 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 10.4895 8.39167 7.61559 16.3194 10.7047 9.04189 13.1629 numMergedOcc 0
27 mol 270 unq 1 iso 0 dist 8.25349 10.4895 8.39167 10.1677 9.16073 7.61559 15.074 7.66392 9.51462 9.99709 numMergedOcc 0
28 mol 270 unq 2 iso 0 dist 8.25349 10.4895 8.39167 10.1677 9.16073 7.61559 11.6697 4.66212 8.12971 11.8774 numMergedOcc 0
