0 mol 7 unq 0 iso 0 dist 8.33249 9.26914 5.70161 12.1468 12.2471 7.10621 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.34604 9.26914 4.57188 12.1468 10.2729 7.10621 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.14422 9.26914 6.09254 12.1468 7.21217 7.10621 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 4.54652 7.54869 11.9881 5.50049 6.59893 9.5589 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 4.54652 6.29729 10.3564 5.50049 6.59893 6.83299 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 7.42848 7.54869 13.9079 5.50049 5.59773 9.5589 numMergedOcc 0
6 mol 54 unq 3 iso 0 dist 7.42848 6.29729 10.4238 5.50049 5.59773 6.83299 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 6.5121 7.40411 11.1307 11.5553 15.4497 7.71095 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 6.5121 7.40411 11.1307 6.31307 12.6008 8.84665 numMergedOcc 0
9 mol 59 unq 2 iso 0 dist 6.5121 7.40411 11.1307 5.76625 11.441 8.25513 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 6.27903 7.00844 6.62193 4.99741 5.83937 6.65595 numMergedOcc 0
11 mol 60 unq 1 iso 0 dist 6.27903 7.00844 6.62193 5.54608 10.9217 8.90863 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 7.40841 7.00844 5.63638 4.99741 8.82095 6.65595 numMergedOcc 0
13 mol 60 unq 3 iso 0 dist 7.40841 7.00844 5.63638 5.54608 6.27749 8.90863 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 8.88571 6.97123 5.4671 7.20068 5.92705 6.65721 numMergedOcc 0
15 mol 61 unq 1 iso 0 dist 8.88571 9.532 10.1513 7.20068 5.92705 6.72123 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 7.69704 6.89004 6.07226 11.5995 14.6182 9.36773 numMergedOcc 0
17 mol 94 unq 0 iso 0 dist 9.2775 9.91121 5.81332 4.07853 9.33801 7.89459 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 7.42373 9.09856 7.40242 7.87833 9.91643 9.28393 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 9.40268 6.70271 6.80292 10.8963 13.0521 7.11802 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 9.40268 6.2109 11.8155 11.6923 14.9543 6.29155 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 9.40268 6.2109 11.8155 12.4997 17.4706 6.80239 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 9.40268 6.2109 11.8155 10.8963 13.0521 8.00618 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 7.72575 6.94119 12.1089 12.4052 17.1425 9.0018 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 7.72575 6.94119 12.1089 6.11854 11.1504 7.652 numMergedOcc 0
25 mol 196 unq 0 iso 0 dist 7.42532 8.95053 11.1298 7.87147 14.8637 9.62191 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 9.03103 7.08106 4.62641 5.42209 9.90494 6.18308 numMergedOcc 0
27 mol 231 unq 0 iso 0 dist 7.88488 6.52115 9.0084 12.4148 15.5078 7.37839 numMergedOcc 0
28 mol 231 unq 1 iso 0 dist 7.88488 6.52115 9.0084 14.0894 17.1148 8.40182 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 6.89822 7.9828 6.68041 7.97488 12.6542 8.53687 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 6.89822 8.73296 10.1367 6.69309 12.3765 9.18903 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 8.73109 7.27446 15.4199 8.07916 15.5946 8.4218 numMergedOcc 0
32 mol 265 unq 1 iso 0 dist 7.43195 7.27446 5.11366 8.07916 12.3211 8.4218 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 9.81981 9.32985 5.96981 7.59176 12.4617 8.33638 numMergedOcc 0
34 mol 272 unq 1 iso 0 dist 7.49228 5.50002 5.43733 10.4754 15.2989 9.97651 numMergedOcc 0
35 mol 272 unq 2 iso 0 dist 7.49228 5.50002 5.43733 12.6468 13.2205 8.46116 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 9.81682 8.8437 9.40662 8.4608 13.774 8.44326 numMergedOcc 0
