0 mol 25 unq 0 iso 0 dist 8.61491 4.4907 6.69002 13.395 6.85556 11.8565 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.96312 5.24778 7.18409 16.3577 9.52474 13.1397 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 7.96312 12.0951 6.21163 16.3577 9.52474 4.75119 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 7.67129 7.83976 7.18409 16.8196 9.52474 13.1397 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 7.67129 12.7455 6.21163 16.8196 9.52474 4.75119 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 6.07108 7.28199 6.58279 6.39047 9.49144 8.69921 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 5.63802 10.2575 6.58279 7.63289 9.49144 8.69921 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.66506 8.49428 6.91141 12.8388 9.24757 9.19589 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.18097 14.4152 5.79841 10.5346 9.82915 13.8798 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.83135 6.87788 5.79841 18.2314 9.82915 13.8798 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.31426 7.30364 7.2131 5.60777 5.37007 6.82886 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 6.15654 10.9929 7.44343 5.1767 6.95572 11.8037 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 6.56978 7.66248 9.1593 13.2001 7.80975 12.3004 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 6.56978 7.66248 9.1593 6.23541 7.10378 10.9755 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 9.85979 13.8016 9.2657 5.759 9.08382 9.67381 numMergedOcc 0
15 mol 125 unq 1 iso 0 dist 9.85979 13.8016 9.2657 6.06241 9.3778 9.19339 numMergedOcc 0
16 mol 125 unq 2 iso 0 dist 9.85979 13.8016 9.2657 13.5623 7.47069 6.92879 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.49831 6.78674 9.62138 10.0526 6.46461 12.9372 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 8.49831 5.79944 5.11444 10.0526 6.46461 7.24951 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 8.2232 11.3094 6.69623 5.37531 8.07687 9.0689 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 8.2232 9.69198 6.21951 5.37531 8.07687 11.1236 numMergedOcc 0
21 mol 206 unq 2 iso 0 dist 6.07229 8.73597 6.69623 7.78332 8.07687 9.0689 numMergedOcc 0
22 mol 206 unq 3 iso 0 dist 6.07229 4.95828 6.21951 7.78332 8.07687 11.1236 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 7.46122 9.69089 9.05637 10.6943 6.59716 6.24624 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.25162 6.32212 6.23146 16.9877 9.05071 13.6402 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 5.94449 9.69939 6.12347 7.7504 9.09855 9.73122 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 7.66302 8.76427 8.16582 11.8697 7.23721 9.36068 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.67838 6.27756 9.46421 11.3822 9.88863 7.70348 numMergedOcc 0
