0 mol 13 unq 0 iso 0 dist 6.11444 8.63643 4.0489 6.70295 8.47514 12.0737 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 6.11444 8.63643 4.0489 5.61058 7.39086 9.45635 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.8701 9.33067 7.69713 7.3848 8.40483 14.008 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 7.28761 9.78134 6.0516 13.735 8.94936 11.1362 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 6.64845 8.32902 11.7802 7.71372 5.9844 15.5227 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.90701 8.21247 9.05723 5.39546 9.89546 6.6263 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 7.32236 6.57633 4.03744 13.1056 9.07906 12.9128 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 7.32236 6.57633 4.03744 13.0177 8.75567 11.6298 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.20427 9.79061 12.7893 4.60412 6.13011 10.9476 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.80003 7.47162 12.0556 11.1406 5.62694 11.0158 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 7.28945 8.40461 9.21982 5.28089 5.36351 6.89918 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.72411 6.32527 6.78984 5.96003 6.52446 6.41689 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.17101 7.94976 3.90634 13.793 8.86966 12.3868 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 9.17101 7.94976 3.90634 11.2124 5.7527 9.37904 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 5.74367 9.47168 6.15234 5.74656 6.85239 7.68266 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 5.74367 9.47168 6.15234 6.67469 5.72735 9.2289 numMergedOcc 0
16 mol 167 unq 2 iso 0 dist 5.74367 9.76579 5.75062 5.74656 6.85239 6.84752 numMergedOcc 0
17 mol 167 unq 3 iso 0 dist 5.74367 9.76579 5.75062 6.67469 5.72735 7.02548 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 7.45761 8.38932 10.1568 4.81264 6.01758 12.1718 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.11956 8.09915 4.4877 5.25279 9.37545 9.3498 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.11956 8.09915 4.4877 9.29114 6.02579 7.05695 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 6.93215 7.80421 3.61565 5.92474 5.62219 8.63693 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 6.93215 9.71107 12.0662 5.92474 5.62219 14.5885 numMergedOcc 0
23 mol 210 unq 2 iso 0 dist 6.93215 9.7449 13.912 5.92474 5.62219 15.3681 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.82519 8.49945 6.24409 8.00087 7.83245 12.3928 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 8.82519 9.68415 8.66313 8.00087 7.83245 11.4467 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 5.62135 8.66659 6.3041 7.72959 8.76788 14.6216 numMergedOcc 0
27 mol 282 unq 1 iso 0 dist 8.68131 8.66659 9.30868 7.72959 8.39723 14.6216 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 4.1631 5.32876 4.24789 8.37369 8.25636 12.138 numMergedOcc 0
29 mol 283 unq 1 iso 0 dist 4.1631 7.60296 5.57175 8.37369 8.25636 13.7283 numMergedOcc 0
