0 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 15.6999 7.15287 6.22892 21.0915 13.8674 6.3027 8.41173 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.28341 5.58255 6.38364 12.9829 4.15151 8.91266 12.5091 8.39221 7.00835 7.66311 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.68517 5.65481 4.7319 8.62634 6.05535 9.04834 4.94804 10.2723 9.14256 9.31149 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 6.67213 6.57102 9.0709 14.0676 12.8917 9.06397 11.5954 13.9156 5.27155 7.95419 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 8.71324 9.73304 9.10915 13.6999 16.6744 9.82646 9.3473 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.56181 7.70414 9.67592 13.1382 10.8918 8.66921 13.6999 16.6744 9.82646 8.14932 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 9.56181 7.70414 9.67592 13.1382 10.8918 8.66921 12.6498 11.6303 5.33496 6.17846 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 9.56181 7.70414 9.67592 9.5663 5.59762 5.54343 12.6498 11.6303 5.33496 6.08228 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 8.84131 8.90571 7.36792 6.7095 7.49575 9.0361 13.457 12.8661 10.2218 8.63522 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 8.84131 8.90571 7.36792 6.7095 7.49575 9.0361 10.8385 9.10229 8.17186 5.43401 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 6.15949 5.24877 9.24515 5.67441 8.42445 7.18757 5.31281 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 6.71345 6.49725 7.5732 6.15949 5.24877 9.24515 10.0602 10.2889 7.13921 8.9922 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.64107 4.82909 4.99221 9.60865 6.07331 8.93552 9.78923 11.6732 11.909 7.67341 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.50575 6.68557 5.11551 9.60865 5.3967 8.35604 9.78923 6.7225 5.39296 7.67341 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 8.43116 4.96719 5.11551 12.6771 5.3967 8.35604 7.46653 6.7225 5.39296 7.67341 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 6.23645 4.96719 7.11972 12.6771 11.9798 8.35604 7.46653 10.2695 5.39296 7.67341 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 17.8352 13.3929 8.07523 15.9233 9.67457 5.82028 6.24111 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 8.58471 10.3518 6.18308 17.8352 13.3929 8.07523 10.3382 9.90494 4.62641 8.60412 numMergedOcc 0
18 mol 210 unq 2 iso 0 dist 8.58471 10.3518 6.18308 15.2952 12.3088 7.56882 15.9233 9.67457 5.82028 9.00343 numMergedOcc 0
19 mol 210 unq 3 iso 0 dist 8.58471 10.3518 6.18308 15.2952 12.3088 7.56882 10.3382 9.90494 4.62641 7.05535 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 5.77925 10.5925 8.35971 10.5189 5.27568 6.73134 15.8985 12.9448 6.0258 9.13126 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 10.7456 12.1502 9.27989 18.1323 15.8376 11.4465 8.34832 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 8.23536 5.50714 7.4631 11.0484 7.93809 6.40592 4.56189 9.72526 4.86437 9.174 numMergedOcc 0
23 mol 241 unq 1 iso 0 dist 6.90245 5.3674 7.4631 7.16232 7.93809 6.40592 10.121 9.72526 4.86437 9.174 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 11.8652 9.48478 6.44967 11.0674 8.71859 4.53213 8.11968 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 9.80409 6.39263 8.45658 9.66298 13.6041 7.6414 17.0555 17.2791 11.544 9.70222 numMergedOcc 0
