0 mol 79 unq 0 iso 0 dist 7.06029 6.05149 6.65972 8.71103 8.14479 7.41952 5.55798 4.13187 8.64686 9.57704 numMergedOcc 0
1 mol 129 unq 0 iso 0 dist 7.84813 5.0466 4.4077 8.63018 6.14663 7.07421 6.65878 6.61102 7.6453 5.06265 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 4.82356 8.75242 9.35049 6.85651 3.75786 9.07294 6.9268 4.63862 5.79195 5.35551 numMergedOcc 0
3 mol 133 unq 1 iso 0 dist 8.83476 6.45333 9.35049 7.03858 3.75786 9.07294 8.19166 4.63862 5.79195 5.35551 numMergedOcc 0
4 mol 204 unq 0 iso 0 dist 8.49554 5.55359 9.92651 7.19213 3.72258 7.00683 13.5496 11.8097 9.52029 8.61406 numMergedOcc 0
5 mol 204 unq 1 iso 0 dist 8.29256 4.72843 9.92651 5.67196 3.72258 7.00683 10.6489 11.8097 9.52029 8.61406 numMergedOcc 0
6 mol 210 unq 0 iso 0 dist 9.49242 13.3519 7.95917 9.97171 5.30972 6.41444 14.1595 4.68656 8.05949 7.48216 numMergedOcc 0
7 mol 230 unq 0 iso 0 dist 6.99256 6.28086 8.01593 11.236 7.62813 6.88683 5.19913 3.86973 9.24729 11.0843 numMergedOcc 0
8 mol 239 unq 0 iso 0 dist 8.37701 5.29911 7.24545 8.58481 6.94281 6.00654 11.1727 7.17772 9.01071 12.178 numMergedOcc 0
9 mol 239 unq 1 iso 0 dist 8.37701 5.29911 7.24545 8.58481 6.94281 6.00654 13.0992 13.8399 8.86185 8.20191 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 6.61322 9.26732 5.94328 10.3095 8.9947 8.97411 5.9223 5.05766 8.58092 13.2474 numMergedOcc 0
11 mol 266 unq 0 iso 0 dist 9.35293 6.3565 6.48382 11.445 16.2409 9.77392 14.8446 7.63149 9.0836 16.492 numMergedOcc 0
12 mol 266 unq 1 iso 0 dist 9.35293 6.3565 6.48382 11.445 16.2409 9.77392 13.6478 4.39553 9.62494 18.9489 numMergedOcc 0
13 mol 266 unq 2 iso 0 dist 7.93375 5.54798 6.48382 11.7492 16.2409 9.77392 12.9059 7.63149 9.0836 16.492 numMergedOcc 0
14 mol 266 unq 3 iso 0 dist 7.93375 5.54798 6.48382 11.7492 16.2409 9.77392 11.907 4.39553 9.62494 18.9489 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 8.25703 9.65468 8.67957 15.5445 12.2201 6.12202 12.5807 4.66969 9.34051 10.3702 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 6.16127 5.66584 9.31611 12.4464 14.6969 8.0935 7.3388 5.03775 6.96774 10.4601 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 6.16127 5.66584 9.31611 12.4464 14.6969 8.0935 6.96248 8.95194 7.14859 8.13485 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 6.16127 5.66584 9.31611 12.4464 14.6969 8.0935 7.3388 5.03775 6.96774 10.4601 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 6.16127 5.66584 9.31611 12.4464 14.6969 8.0935 6.96248 8.95194 7.14859 8.13485 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 6.16127 5.66584 9.31611 12.4464 14.6969 8.0935 7.3388 5.03775 6.96774 10.4601 numMergedOcc 0
21 mol 289 unq 1 iso 0 dist 6.16127 5.66584 9.31611 12.4464 14.6969 8.0935 6.96248 8.95194 7.14859 8.13485 numMergedOcc 0
