0 mol 13 unq 0 iso 0 dist 7.71544 5.4424 9.24347 11.3605 15.5309 7.97656 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.5915 5.01162 6.31564 9.88291 5.97635 6.59893 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.5915 5.01162 6.31564 4.07894 13.1075 9.06005 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.49487 9.60995 16.0633 4.61096 11.4701 6.80741 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 9.0455 8.63018 4.99299 5.56946 9.28278 6.29026 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.12336 6.23615 12.4479 4.64588 11.5178 6.11955 numMergedOcc 0
6 mol 183 unq 0 iso 0 dist 8.15747 9.92635 16.0056 10.0008 17.9969 7.31181 numMergedOcc 0
7 mol 183 unq 1 iso 0 dist 8.74903 7.85507 16.0056 9.95614 17.9969 7.31181 numMergedOcc 0
8 mol 183 unq 2 iso 0 dist 5.44125 9.92635 7.93856 10.0008 7.07224 7.31181 numMergedOcc 0
9 mol 183 unq 3 iso 0 dist 7.11505 7.85507 7.93856 9.95614 7.07224 7.31181 numMergedOcc 0
10 mol 188 unq 0 iso 0 dist 9.5523 8.48582 5.8486 4.04545 10.1087 9.24118 numMergedOcc 0
11 mol 219 unq 0 iso 0 dist 7.13496 8.62654 6.78678 9.31035 13.7896 9.77442 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 9.37229 8.10096 9.97507 5.47434 14.5574 9.5723 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 9.16638 9.71082 13.6728 4.86949 13.0235 8.68464 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 7.50665 4.90407 5.31797 5.44171 7.50424 5.00515 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.51177 9.46728 15.2081 11.9383 15.7611 6.83152 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.51177 9.46728 15.2081 9.23693 11.6545 5.24313 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 8.23739 8.43067 5.95774 4.37426 6.36911 4.97263 numMergedOcc 0
18 mol 257 unq 1 iso 0 dist 8.23739 8.43067 5.95774 5.8531 7.82899 5.36776 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.37512 9.4886 5.24482 11.9201 10.3054 5.81927 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 8.37512 9.4886 5.24482 8.27707 9.59174 6.09782 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.05363 5.98006 6.13878 6.64729 5.90645 6.77279 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 9.05363 5.98006 6.13878 9.79538 9.73107 9.58006 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 5.30455 5.22111 4.59239 5.41945 9.73341 7.93997 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 7.34794 5.22111 5.09929 5.41945 9.54857 7.93997 numMergedOcc 0
25 mol 259 unq 4 iso 0 dist 6.8184 8.53598 4.59239 10.2837 9.73341 7.93997 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 9.71346 6.98812 5.55184 5.58514 13.2527 9.59213 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.27493 7.62562 13.2785 6.96875 15.9155 7.79904 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 9.27493 7.62562 13.2785 15.8929 20.9061 9.02749 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 7.79408 6.83278 4.50533 13.5373 12.9874 9.82774 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 8.36393 7.90132 12.3631 4.44211 12.6822 9.53225 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 8.89372 5.27236 8.00469 5.57606 13.284 6.47832 numMergedOcc 0
