0 mol 4 unq 0 iso 0 dist 9.15878 7.17837 9.63758 7.64358 5.93454 6.88837 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 13.4485 9.48288 11.0398 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.14072 9.90363 5.06188 13.7632 9.16212 11.0408 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.27044 12.456 7.58027 3.73413 7.546 10.9054 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.98208 12.456 4.34694 3.73413 7.20403 10.9054 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 5.55798 7.95422 8.61089 6.04435 5.33546 5.37898 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 5.55798 6.05149 8.64686 6.04435 5.33546 8.69896 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 6.77845 9.39588 7.2118 10.4266 5.68212 10.4465 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 5.48555 12.0034 7.2118 7.34738 5.68212 10.4465 numMergedOcc 0
9 mol 83 unq 2 iso 0 dist 5.39805 6.61275 7.2118 6.63513 5.68212 10.4465 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.23356 5.86578 6.56481 4.00529 9.50699 9.47975 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 9.62357 15.1223 6.61973 5.57288 6.74026 10.4136 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 5.16531 12.2874 9.52061 7.03404 6.52844 5.9261 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 6.65878 5.0466 7.6453 6.15789 9.7113 8.73165 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.47265 7.75436 5.32865 4.31702 7.08651 5.96025 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 5.47265 7.75436 5.32865 6.78733 6.78887 5.19485 numMergedOcc 0
16 mol 165 unq 0 iso 0 dist 9.63241 7.28318 5.99596 9.96973 9.41943 9.52911 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 4.11297 8.91143 14.2953 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 7.81904 6.6097 7.91838 5.98598 4.65126 6.10456 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.78743 13.2525 6.2016 7.02086 8.29166 8.67274 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 9.78743 13.2525 6.2016 14.0195 8.14859 13.2917 numMergedOcc 0
21 mol 192 unq 2 iso 0 dist 9.78743 13.2525 6.2016 11.153 5.62421 10.3343 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 9.04342 4.03375 5.61326 11.2657 9.854 8.18632 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.43002 6.30651 8.57274 10.318 7.87648 12.3617 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 8.99435 9.74634 8.04712 10.7055 9.95217 5.20184 numMergedOcc 0
