0 mol 45 unq 0 iso 0 dist 7.21995 8.97644 7.43769 11.3159 5.85737 5.31095 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 9.62637 8.97644 5.2315 11.3159 3.61653 5.31095 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 7.70625 5.20813 7.43769 8.50375 5.85737 5.31095 numMergedOcc 0
3 mol 45 unq 3 iso 0 dist 6.01423 5.20813 5.2315 8.50375 3.61653 5.31095 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.30987 10.6854 6.32568 12.1135 10.1455 6.89022 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 9.43355 10.9396 9.57333 7.92479 3.68327 6.10199 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.33541 3.85992 5.9758 9.69937 13.5955 8.46167 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 7.33541 3.85992 5.9758 5.45882 11.746 6.13175 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 7.33541 3.85992 5.9758 4.57487 9.9322 4.34107 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.83981 9.35355 5.32751 11.6024 3.67473 5.45716 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 6.13559 5.27716 5.32751 8.61909 3.67473 5.45716 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 6.51395 9.60224 5.32751 9.97296 3.67473 5.45716 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 4.25566 4.80602 7.90709 6.50336 3.80087 8.56285 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.63171 11.039 7.90709 10.3574 3.80087 8.56285 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 7.67273 11.4956 7.90709 10.9275 3.80087 8.56285 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 7.31037 4.80602 9.03842 6.50336 3.80763 8.56285 numMergedOcc 0
16 mol 141 unq 4 iso 0 dist 8.75562 4.01524 6.12485 9.68074 8.79381 7.70581 numMergedOcc 0
17 mol 141 unq 5 iso 0 dist 8.00449 4.01524 6.0262 9.68074 5.16197 7.70581 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 8.73468 12.0468 9.87021 11.2534 9.00149 8.88297 numMergedOcc 0
19 mol 148 unq 1 iso 0 dist 9.73927 12.0468 7.34023 11.2534 10.5863 8.88297 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 8.73558 12.1191 9.96938 11.256 9.04793 8.82984 numMergedOcc 0
21 mol 150 unq 1 iso 0 dist 9.66129 12.1191 7.35268 11.256 10.5688 8.82984 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 8.94909 10.6175 9.43169 14.8879 9.30662 7.09397 numMergedOcc 0
23 mol 254 unq 1 iso 0 dist 8.94909 10.6175 9.43169 10.5706 4.4384 6.56151 numMergedOcc 0
24 mol 254 unq 2 iso 0 dist 8.94909 10.6175 9.43169 13.1261 6.09569 8.3417 numMergedOcc 0
25 mol 254 unq 3 iso 0 dist 8.94909 4.06684 5.9438 10.5706 4.4384 6.58752 numMergedOcc 0
26 mol 257 unq 0 iso 0 dist 8.60481 7.26726 8.48733 13.7311 8.63927 8.86142 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.71152 9.57643 9.60449 11.9661 4.60397 8.53393 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 9.71152 9.57643 9.60449 9.73748 5.26919 7.24165 numMergedOcc 0
