0 mol 26 unq 0 iso 0 dist 9.15677 14.1383 8.44506 12.9455 7.98005 12.4814 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.15677 14.1383 8.44506 14.2359 8.31381 15.4838 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.61029 9.77186 8.44506 5.34406 7.98005 12.4814 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.61029 9.77186 8.44506 11.3355 8.31381 15.4838 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 7.68916 9.24617 9.66501 4.49773 6.22221 7.92666 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 7.47417 5.10567 9.66501 7.15496 6.22221 7.92666 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.6606 5.6194 7.9814 7.39492 8.06267 9.21465 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.6606 5.6194 7.9814 4.89623 5.88334 6.22999 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.87387 11.3694 6.34525 10.4408 9.93438 13.7162 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 4.93035 5.74529 6.69515 6.0008 7.46621 10.7652 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.72463 4.88215 8.41611 10.7652 8.99891 7.87644 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 8.72463 8.25783 7.63338 10.7652 8.99891 13.5899 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 8.72463 14.7431 9.03707 10.7652 8.99891 9.13604 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 8.72463 12.956 7.25673 10.7652 8.99891 12.6218 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 4.93984 6.31396 9.94125 7.95112 9.86868 3.67696 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 4.93984 6.31396 9.94125 4.03388 6.83528 7.69109 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 5.80867 11.1573 8.10985 6.36333 6.77156 13.3432 numMergedOcc 0
17 mol 198 unq 1 iso 0 dist 5.80867 11.1573 8.10985 3.69483 7.97894 12.4245 numMergedOcc 0
18 mol 198 unq 2 iso 0 dist 5.80867 11.1573 8.10985 9.0575 8.08471 5.45278 numMergedOcc 0
19 mol 198 unq 3 iso 0 dist 9.4363 4.75457 8.10985 13.9439 6.77156 13.3432 numMergedOcc 0
20 mol 198 unq 4 iso 0 dist 9.4363 4.75457 8.10985 11.1303 7.97894 12.4245 numMergedOcc 0
21 mol 198 unq 5 iso 0 dist 9.4363 4.75457 8.10985 5.89703 8.08471 5.45278 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.59262 5.90709 8.70977 11.326 6.23183 11.5047 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.27588 7.54414 7.71657 5.83809 8.97531 5.48178 numMergedOcc 0
