0 mol 4 unq 0 iso 0 dist 6.05231 6.5845 8.00865 3.25279 5.51567 3.9661 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.31452 5.94361 5.99743 6.23648 6.47443 5.83346 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.6082 4.71264 6.67704 8.93403 8.47386 5.4499 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 9.24687 8.5755 6.67704 3.70511 8.47386 5.4499 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 5.68877 9.52807 8.71284 8.73415 5.55479 10.4994 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.41011 10.0797 5.81645 6.99174 9.99671 11.0089 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 7.41011 6.29545 6.75026 6.99174 9.99671 6.6172 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 6.96066 4.22631 4.3247 3.80156 6.63733 5.76452 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.28645 6.62328 7.03339 3.78964 7.77418 5.08111 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 9.32658 4.7671 7.64707 3.72135 8.0852 3.91051 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 9.32658 4.7671 7.64707 7.66483 8.83222 3.88817 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.54588 4.29967 7.59836 10.3282 7.86997 6.3369 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 8.54588 4.29967 7.59836 12.0342 6.80944 8.54288 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 8.54588 6.48822 9.94274 10.3282 7.86997 11.7617 numMergedOcc 0
14 mol 186 unq 3 iso 0 dist 8.54588 6.48822 9.94274 12.0342 6.80944 13.4501 numMergedOcc 0
15 mol 211 unq 0 iso 0 dist 6.42375 9.59572 8.76958 5.34054 8.83118 12.8045 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 6.64341 4.37504 8.06003 7.79226 9.94612 6.82259 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 7.31315 5.69801 8.06003 11.122 9.94612 6.82259 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 9.83374 14.6007 8.16005 13.0429 8.28809 3.78984 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 5.75335 7.55971 8.16005 5.19474 8.28809 3.78984 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.35799 8.34527 7.10052 6.32559 5.41277 8.8363 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 4.26671 8.48093 9.55885 5.55901 6.16546 11.2388 numMergedOcc 0
