0 mol 8 unq 0 iso 0 dist 9.00925 9.95165 14.4767 12.915 14.0169 7.3915 11.959 11.4331 7.43529 8.96553 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.50382 9.23617 4.20374 14.4019 10.6173 6.92532 21.0095 14.7725 12.3486 7.20519 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.50382 9.23617 4.20374 14.4019 10.6173 6.92532 14.2971 7.62549 5.18512 4.54938 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 9.50382 9.23617 4.20374 14.4019 10.6173 6.92532 18.119 12.2455 9.47529 6.864 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 9.50382 9.23617 4.20374 10.38 10.1088 6.36455 14.2971 7.62549 5.18512 7.82074 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 8.76559 8.59114 4.20374 14.3476 10.6173 6.92532 19.776 14.7725 12.3486 7.20519 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 8.76559 8.59114 4.20374 14.3476 10.6173 6.92532 12.8189 7.62549 5.18512 4.54938 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 8.76559 8.59114 4.20374 14.3476 10.6173 6.92532 14.4543 12.2455 9.47529 6.864 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 8.76559 8.59114 4.20374 12.7 10.1088 6.36455 12.8189 7.62549 5.18512 7.82074 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 9.54864 8.4928 10.5228 5.09908 11.9912 9.96399 8.8058 6.0993 9.62257 8.33063 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 9.54864 8.4928 10.5228 10.0675 13.4395 7.55695 8.8058 6.0993 9.62257 8.7531 numMergedOcc 0
11 mol 60 unq 2 iso 0 dist 9.54864 8.4928 10.5228 14.3334 15.7663 8.82176 17.8366 14.0434 13.0114 8.90863 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 6.60356 6.14415 6.04919 6.89762 11.5472 7.12017 9.57498 14.3495 9.52882 6.45675 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 6.60356 6.14415 6.04919 6.89762 11.5472 7.12017 10.0165 16.2555 12.6602 7.47343 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 6.60356 6.14415 6.04919 6.89762 11.5472 7.12017 15.6218 20.1677 14.8674 8.86688 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.02969 7.35503 7.99528 10.0299 14.3405 7.23962 11.0565 9.60908 3.98564 9.60462 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.02969 7.35503 7.99528 11.5698 13.2326 7.30204 11.0565 9.60908 3.98564 7.45389 numMergedOcc 0
17 mol 112 unq 2 iso 0 dist 7.02265 8.79543 7.99528 11.7503 14.3405 7.23962 11.6825 9.60908 3.98564 9.60462 numMergedOcc 0
18 mol 112 unq 3 iso 0 dist 7.02265 8.79543 7.99528 10.886 13.2326 7.30204 11.6825 9.60908 3.98564 7.45389 numMergedOcc 0
19 mol 112 unq 4 iso 0 dist 9.42175 6.48223 7.99528 10.626 14.3405 7.23962 5.81552 9.60908 3.98564 9.60462 numMergedOcc 0
20 mol 112 unq 5 iso 0 dist 9.42175 6.48223 7.99528 5.27363 13.2326 7.30204 5.81552 9.60908 3.98564 7.45389 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 5.31281 7.73842 10.9798 5.24877 8.42445 6.34525 9.24515 7.18757 11.128 7.5732 numMergedOcc 0
22 mol 114 unq 1 iso 0 dist 8.9922 7.73842 15.009 5.24877 10.2889 6.34525 9.24515 7.13921 11.128 7.5732 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 7.9663 4.85559 4.79695 7.09664 12.0527 8.33077 9.05626 9.97628 5.97111 8.70949 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 6.54338 6.87562 4.79695 9.03539 12.0527 8.33077 12.173 9.97628 5.97111 8.70949 numMergedOcc 0
25 mol 130 unq 2 iso 0 dist 9.39135 6.87562 8.11667 9.03539 15.8249 8.33077 12.173 13.2043 5.97111 8.70949 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 7.71277 9.19078 10.4193 7.17016 8.89982 9.77552 13.9298 13.2491 9.35627 8.56324 numMergedOcc 0
27 mol 152 unq 1 iso 0 dist 7.71277 9.19078 10.4193 11.3742 14.5119 8.28642 13.1463 13.8698 5.70788 5.87555 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 7.71277 9.19078 10.4193 11.3742 14.5119 8.28642 13.9298 13.2491 9.35627 6.70283 numMergedOcc 0
29 mol 152 unq 3 iso 0 dist 7.71277 9.19078 10.4193 11.3742 14.5119 8.28642 18.3042 18.5464 11.2078 8.67331 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 9.45817 4.97005 10.763 9.14781 10.9329 8.64409 11.0743 5.43796 9.97575 9.09754 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 9.98092 8.8513 7.16694 7.63908 14.0931 8.47347 10.7448 8.53432 4.46081 9.96154 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 7.50321 7.11691 9.0626 11.9042 16.9946 9.64269 6.62923 7.55961 4.86504 9.97651 numMergedOcc 0
33 mol 272 unq 1 iso 0 dist 7.50321 7.11691 9.0626 5.27123 12.4617 8.46061 4.78812 5.96981 8.7909 8.33638 numMergedOcc 0
34 mol 272 unq 2 iso 0 dist 7.50321 7.11691 9.0626 5.27123 12.4617 8.46061 6.62923 7.55961 4.86504 8.46116 numMergedOcc 0
35 mol 272 unq 3 iso 0 dist 9.61597 7.11691 8.41005 11.9042 15.2989 9.64269 6.62923 5.43733 4.86504 9.97651 numMergedOcc 0
36 mol 272 unq 4 iso 0 dist 9.61597 7.11691 8.41005 5.27123 13.2205 8.46061 4.78812 6.76845 8.7909 8.33638 numMergedOcc 0
37 mol 272 unq 5 iso 0 dist 9.61597 7.11691 8.41005 5.27123 13.2205 8.46061 6.62923 5.43733 4.86504 8.46116 numMergedOcc 0
