0 mol 11 unq 0 iso 0 dist 9.04534 5.71129 6.58046 10.2507 13.0674 6.79478 8.75299 14.8761 9.67404 9.36555 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.4515 3.97569 6.23522 13.5192 8.0072 9.68526 13.3961 7.02693 10.8067 9.27355 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.4515 3.97569 6.23522 13.635 9.61302 9.72442 13.3961 7.02693 10.8067 8.60363 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.4515 3.97569 6.23522 13.635 9.61302 9.72442 13.1083 14.0314 10.163 9.27331 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 8.63018 6.14663 6.29026 5.0466 4.4077 4.80675 7.07421 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 4.82356 4.84607 5.78814 6.85651 3.75786 8.84018 8.75242 9.35049 13.1243 9.07294 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 4.82356 4.84607 5.78814 6.85651 3.75786 8.84018 14.0828 10.3668 15.9524 7.50126 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.83476 11.981 5.78814 7.03858 3.75786 8.84018 6.45333 9.35049 13.1243 9.07294 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 8.83476 11.981 5.78814 7.03858 3.75786 8.84018 11.5586 10.3668 15.9524 7.50126 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 7.16035 10.0008 9.96536 9.92635 10.7786 7.31181 13.34 16.4323 11.4393 6.21267 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 7.16035 10.0008 9.96536 9.92635 10.7786 7.31181 13.9426 15.7115 6.81609 7.41743 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 9.61725 9.95614 9.96536 7.85507 10.7786 7.31181 9.98606 16.4323 11.4393 6.21267 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 9.61725 9.95614 9.96536 7.85507 10.7786 7.31181 11.9935 15.7115 6.81609 7.41743 numMergedOcc 0
13 mol 183 unq 4 iso 0 dist 9.01531 9.81623 9.96536 15.2398 10.7786 7.31181 19.7089 16.4323 11.4393 6.21267 numMergedOcc 0
14 mol 183 unq 5 iso 0 dist 9.01531 9.81623 9.96536 15.2398 10.7786 7.31181 16.1803 15.7115 6.81609 7.41743 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 9.97171 8.81074 9.67457 14.9127 11.6806 13.3929 6.24111 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 9.25184 3.84723 6.85824 9.97171 8.81074 9.67457 14.823 11.2036 12.3088 9.00343 numMergedOcc 0
17 mol 210 unq 2 iso 0 dist 9.25184 3.84723 6.85824 9.97171 8.81074 9.67457 13.3519 14.5181 13.3774 6.41444 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.61322 9.07364 8.03012 10.3095 8.9947 5.73296 9.26732 5.94328 4.6881 8.97411 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 9.60767 11.6193 5.4557 17.4373 9.93118 5.81927 13.6221 10.2662 6.51074 8.57305 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 8.25703 10.6892 8.12739 15.5445 12.2201 9.02749 9.65468 8.67957 7.23876 6.12202 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 9.35302 4.44211 9.07995 7.90132 7.27864 9.53225 5.37953 10.5131 4.69801 7.53773 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 5.28731 4.16039 5.03601 12.3495 10.6606 8.71213 9.97666 9.66678 5.93692 4.74716 numMergedOcc 0
