0 mol 10 unq 0 iso 0 dist 9.1686 13.1127 8.26327 7.28753 6.68744 11.1583 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.99402 15.1761 8.26327 4.84364 6.68744 11.1583 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 7.3489 4.02014 8.26327 11.1641 6.68744 11.1583 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 5.86243 8.4072 8.10697 6.19943 5.17241 4.841 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 5.86243 8.61778 9.85714 6.19943 5.17241 5.13391 numMergedOcc 0
5 mol 38 unq 2 iso 0 dist 7.55357 9.36454 8.10697 5.09927 5.17241 4.841 numMergedOcc 0
6 mol 38 unq 3 iso 0 dist 7.55357 5.97259 9.85714 5.09927 5.17241 5.13391 numMergedOcc 0
7 mol 44 unq 0 iso 0 dist 8.23606 12.6735 8.6578 7.00034 7.49423 11.5819 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 7.19203 4.47546 9.24119 6.31365 6.7739 4.64594 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 7.19203 4.47546 9.24119 5.08329 8.3318 3.72899 numMergedOcc 0
10 mol 68 unq 2 iso 0 dist 8.8095 6.83749 9.24119 5.74636 6.7739 4.64594 numMergedOcc 0
11 mol 68 unq 3 iso 0 dist 8.8095 6.83749 9.24119 8.30034 8.3318 3.72899 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 7.37989 7.90941 5.49193 13.8604 9.55089 6.74231 numMergedOcc 0
13 mol 83 unq 1 iso 0 dist 7.37989 7.90941 5.49193 8.71052 7.22942 3.8835 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.12189 8.23536 4.7699 4.70163 8.65133 10.7704 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 7.50911 3.94173 4.7699 11.5439 8.65133 10.7704 numMergedOcc 0
16 mol 165 unq 0 iso 0 dist 8.64349 5.01412 9.00812 7.53631 9.93641 11.269 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 8.93927 11.8096 4.58248 12.0094 9.00382 7.13626 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.76477 7.79571 6.29118 10.0206 9.69133 6.20756 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 6.82688 5.68442 6.29118 11.775 9.69133 6.20756 numMergedOcc 0
20 mol 232 unq 2 iso 0 dist 5.92175 6.4535 6.29118 6.89215 9.69133 6.20756 numMergedOcc 0
21 mol 255 unq 0 iso 0 dist 6.25315 5.41656 9.62635 10.1521 8.47155 15.1486 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.98346 13.0809 7.66693 13.6472 9.95749 7.24109 numMergedOcc 0
23 mol 268 unq 0 iso 0 dist 6.74419 10.9145 6.98033 9.62272 8.69312 5.68496 numMergedOcc 0
