0 mol 34 unq 0 iso 0 dist 7.10899 8.62215 5.2422 12.1168 9.99939 14.9436 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 5.9747 11.1108 8.05602 4.48773 7.92856 12.6133 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 4.50572 9.17639 8.05602 3.8493 7.92856 12.6133 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 8.89481 4.57112 9.08014 5.96967 7.02367 6.55681 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 8.89481 4.57112 9.08014 7.52951 9.30832 11.1233 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 6.40546 9.90172 7.85527 3.80816 7.60162 10.6622 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.81337 10.4143 8.99949 3.97269 8.80895 7.51072 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 9.93555 7.19596 8.34737 3.47453 8.89394 6.64725 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.58911 7.56512 6.58792 3.55808 9.70481 8.21964 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 5.41292 6.1839 8.76932 3.70636 8.37086 8.72641 numMergedOcc 0
10 mol 199 unq 0 iso 0 dist 8.30443 4.98653 9.30897 3.78464 8.72831 6.58405 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 9.55777 14.056 5.47561 9.08651 5.1609 9.2281 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 6.44212 10.5291 8.61729 3.71488 4.43499 8.18179 numMergedOcc 0
13 mol 253 unq 0 iso 0 dist 8.91612 9.02763 8.68368 9.82989 8.94786 15.6704 numMergedOcc 0
14 mol 253 unq 1 iso 0 dist 8.91612 9.02763 8.68368 10.2284 9.1927 13.5912 numMergedOcc 0
15 mol 253 unq 2 iso 0 dist 8.91612 9.02763 8.68368 9.31054 9.60694 3.99655 numMergedOcc 0
16 mol 253 unq 3 iso 0 dist 8.91612 9.02763 8.68368 13.0515 9.27311 5.37143 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 7.67598 4.19031 5.98967 8.46364 4.80903 7.06908 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.12507 8.46264 8.57619 10.6139 9.18798 7.70492 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 9.12507 8.46264 8.57619 9.58753 8.25897 10.388 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 8.49076 7.64336 6.36173 7.72539 8.12739 12.2565 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 8.49076 7.64336 6.36173 8.78528 6.09853 10.2664 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.88897 5.24499 7.07459 4.20802 5.81301 3.60894 numMergedOcc 0
