0 mol 59 unq 0 iso 0 dist 7.40411 12.7672 8.24062 8.26644 6.73347 7.0313 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 7.60252 7.34035 6.77912 9.17208 9.27838 4.67641 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.79958 14.5279 8.36431 16.7596 8.91313 10.2475 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 8.79958 14.5279 8.36431 10.5288 8.16392 6.94695 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 9.18852 11.3741 8.36431 8.51668 8.91313 10.2475 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 9.18852 11.3741 8.36431 7.07591 8.16392 6.94695 numMergedOcc 0
6 mol 92 unq 4 iso 0 dist 8.09482 6.73841 7.96555 6.77005 5.37007 6.85455 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 5.8729 10.6994 5.87358 12.6824 7.80523 6.89298 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.0529 11.9421 7.66168 9.56357 7.90048 6.08911 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 8.0529 11.9421 7.66168 6.42401 9.99802 11.562 numMergedOcc 0
10 mol 130 unq 2 iso 0 dist 8.0529 10.7817 9.12581 9.56357 7.90048 10.0581 numMergedOcc 0
11 mol 130 unq 3 iso 0 dist 8.0529 10.7817 9.12581 6.42401 9.99802 7.20197 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.65519 9.81525 6.91348 15.1611 8.70296 9.93183 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.65519 9.81525 6.91348 7.93002 9.25558 5.90177 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 6.65519 5.19391 9.51418 15.1611 8.70296 16.5048 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 6.65519 5.19391 9.51418 7.93002 9.25558 5.70899 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 9.92736 5.55813 6.73313 11.2491 6.73956 5.8726 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 9.92736 5.55813 6.73313 15.7347 7.09394 10.7622 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.73695 6.97669 6.47873 5.54193 8.65535 10.7231 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.40983 14.2146 9.19704 6.11697 6.03688 14.6029 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 5.99069 5.82692 9.0012 9.91912 7.16853 9.76317 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 5.99069 5.07981 9.5784 9.91912 7.16853 13.9064 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 8.8437 5.89087 6.35287 6.83323 8.00673 7.83538 numMergedOcc 0
