0 mol 10 unq 0 iso 0 dist 8.53436 5.66059 5.94028 6.77258 10.8707 5.59965 15.7065 15.9734 12.4032 9.39017 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.12013 6.19304 8.43877 6.44044 10.9537 8.5315 9.46895 8.79217 12.7517 8.07997 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.99379 9.09041 9.12695 12.4018 15.7841 8.03296 12.5272 13.3143 4.39227 5.72627 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 8.99379 9.09041 9.12695 5.71329 10.9594 5.82754 12.5272 13.3143 4.39227 7.68741 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 8.99379 9.09041 9.12695 10.427 11.682 8.87742 12.5272 13.3143 4.39227 9.76351 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.87856 6.04768 11.3708 4.81103 4.94406 7.14031 7.88143 6.62867 12.9271 7.67564 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.87856 6.04768 11.3708 4.81103 4.94406 7.14031 6.62952 11.2334 12.2431 8.60103 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 6.2491 6.04768 7.43547 4.81103 7.2337 7.14031 7.88143 12.7928 12.9271 7.67564 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 6.2491 6.04768 7.43547 4.81103 7.2337 7.14031 6.62952 7.89992 12.2431 8.60103 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 3.59451 9.40173 7.43547 7.22196 7.2337 7.14031 10.5625 12.7928 12.9271 7.67564 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 3.59451 9.40173 7.43547 7.22196 7.2337 7.14031 4.3521 7.89992 12.2431 8.60103 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 8.15971 8.2793 10.5488 6.27138 12.9461 6.11502 7.43803 5.32986 6.67445 9.94322 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 8.15971 8.2793 10.5488 6.27138 12.9461 6.11502 12.2446 16.2589 8.12341 8.35871 numMergedOcc 0
13 mol 125 unq 2 iso 0 dist 8.15971 8.2793 10.5488 5.61158 11.2037 6.33431 8.44933 5.16445 6.58625 8.74577 numMergedOcc 0
14 mol 125 unq 3 iso 0 dist 8.15971 8.2793 10.5488 5.61158 11.2037 6.33431 7.43803 5.32986 6.67445 9.7728 numMergedOcc 0
15 mol 125 unq 4 iso 0 dist 8.15971 8.2793 10.5488 5.61158 11.2037 6.33431 12.2446 16.2589 8.12341 6.75122 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 6.47989 8.32841 5.46268 5.309 9.15984 8.21184 5.50879 4.68339 5.6621 8.75305 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 6.47989 8.32841 5.46268 6.07262 8.32227 5.9976 5.50879 4.68339 5.6621 5.13522 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 6.47989 6.00295 4.78734 5.309 9.15984 5.41575 5.50879 4.68339 6.65278 8.75305 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 6.47989 6.00295 4.78734 6.07262 8.32227 6.86566 5.50879 4.68339 6.65278 5.13522 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 9.05082 6.82883 7.93097 4.97624 10.7136 5.70795 8.24741 12.3913 4.66376 6.45143 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.11884 9.31961 6.82173 11.1373 10.8564 6.37963 19.9451 16.5471 13.5199 9.74449 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 9.36052 8.16005 5.527 5.63899 10.8281 7.16346 7.84151 10.402 11.4694 9.16554 numMergedOcc 0
23 mol 273 unq 1 iso 0 dist 9.36052 8.16005 5.527 5.63899 10.8281 7.16346 7.85797 5.78379 4.73332 9.65597 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 8.83777 7.88238 12.5151 13.008 16.9867 8.20644 13.9579 12.2251 10.7039 9.35976 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 9.42812 7.88238 5.10104 13.008 5.92532 8.20644 13.9579 5.95045 10.7039 9.35976 numMergedOcc 0
