0 mol 51 unq 0 iso 0 dist 5.67627 5.46557 7.12423 4.97772 5.27155 6.50216 numMergedOcc 0
1 mol 51 unq 1 iso 0 dist 5.67627 5.46557 7.12423 13.5092 14.6972 9.83073 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.46313 12.1397 8.46556 18.3123 11.5608 9.67403 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.74289 3.95228 7.51075 8.56621 7.1369 6.88786 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.28058 7.70943 8.06168 5.60664 4.49951 9.87177 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 7.28058 3.98918 8.67532 5.60664 4.49951 6.70925 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 5.17291 3.98395 7.47794 8.99189 5.31439 9.06225 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.81569 10.3277 7.47794 8.94097 5.31439 9.06225 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 7.42893 4.58154 5.22543 5.58941 5.16122 5.5199 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 13.8387 7.96098 6.23615 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 9.56095 10.1632 6.7973 14.91 6.68061 6.53806 numMergedOcc 0
11 mol 155 unq 1 iso 0 dist 9.56095 10.1632 6.7973 13.4874 5.27475 8.47335 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 7.24785 16.5686 9.88732 16.4529 9.76368 5.43774 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 7.24785 11.9699 5.77949 16.4529 9.76368 8.31061 numMergedOcc 0
14 mol 180 unq 2 iso 0 dist 7.53287 15.4961 9.88732 16.9476 9.76368 5.43774 numMergedOcc 0
15 mol 180 unq 3 iso 0 dist 7.53287 10.2233 5.77949 16.9476 9.76368 8.31061 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 7.18765 14.6497 8.3337 18.1223 11.713 8.47576 numMergedOcc 0
17 mol 197 unq 1 iso 0 dist 7.18765 14.6497 8.3337 15.8386 8.69245 5.79753 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 9.95084 15.8157 7.73315 21.1668 12.0573 6.2441 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 11.1153 6.16697 9.36753 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 7.34573 9.82483 7.279 numMergedOcc 0
21 mol 249 unq 1 iso 0 dist 9.14351 6.09778 8.94023 7.34573 9.82483 8.43448 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 6.44188 9.11516 9.83721 16.1475 13.2456 8.9297 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 5.13633 12.611 9.83721 17.978 13.2456 8.9297 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 6.66602 9.34577 6.83408 5.11475 5.11257 9.8799 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 9.60619 15.5414 7.74162 14.3748 6.03718 9.71653 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 7.29148 11.1098 5.75596 19.8117 13.9754 8.92332 numMergedOcc 0
