0 mol 79 unq 0 iso 0 dist 9.22889 7.75543 6.0298 11.776 6.64915 10.9812 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 6.64915 6.65972 9.87964 11.776 9.22889 14.153 numMergedOcc 0
2 mol 79 unq 2 iso 0 dist 6.64915 4.2253 4.31939 11.776 9.22889 10.1173 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 16.4809 8.83135 9.43839 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.18097 8.49887 7.66499 16.4809 8.83135 10.329 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 8.83135 9.43839 5.22259 16.4809 9.18097 7.51319 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 9.2638 9.12145 14.6696 13.3886 8.03113 21.3074 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 9.2638 8.11048 8.478 13.3886 8.03113 16.0103 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.31025 9.88912 6.17752 12.9672 9.0087 14.6517 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 9.31025 9.46218 15.8538 12.9672 9.0087 22.0707 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 8.09776 7.56217 12.7379 7.18487 6.57575 14.1579 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 8.09776 7.56217 12.7379 11.0897 9.30761 16.6423 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 8.09776 9.81055 15.4151 7.18487 6.57575 16.8807 numMergedOcc 0
13 mol 194 unq 3 iso 0 dist 8.09776 9.81055 15.4151 11.0897 9.30761 17.5359 numMergedOcc 0
14 mol 194 unq 4 iso 0 dist 6.57575 7.96463 12.8597 7.18487 8.09776 14.9046 numMergedOcc 0
15 mol 194 unq 5 iso 0 dist 6.57575 7.96463 12.8597 10.7204 9.30761 14.6498 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 5.50591 9.50983 9.31626 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 9.29788 9.05161 5.57952 5.50591 9.50983 9.77366 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 9.50983 9.31626 5.68255 5.50591 9.29788 6.93942 numMergedOcc 0
19 mol 253 unq 3 iso 0 dist 9.50983 9.77366 5.57952 5.50591 9.29788 9.05161 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 6.52591 7.00841 14.9698 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 7.00841 5.83039 4.4384 6.52591 7.28781 9.64879 numMergedOcc 0
22 mol 254 unq 2 iso 0 dist 7.00841 6.74364 6.09569 6.52591 7.28781 11.3197 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 9.65136 6.33954 5.59732 9.94343 7.54955 10.6552 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 8.86801 9.30035 6.85669 6.08002 7.15093 9.51185 numMergedOcc 0
25 mol 272 unq 1 iso 0 dist 7.15093 9.51185 6.85669 6.08002 8.86801 9.30035 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 9.38952 7.00616 8.71368 12.9392 7.42529 12.4223 numMergedOcc 0
