0 mol 24 unq 0 iso 0 dist 6.01284 5.02954 3.33439 4.82556 5.78532 5.9372 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.01284 5.02954 3.33439 6.25108 8.49709 6.93597 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.45579 5.02954 4.56606 4.82556 9.69815 5.9372 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.45579 5.02954 4.56606 6.25108 10.7495 6.93597 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.96195 8.56274 3.67206 11.8996 9.84204 7.85986 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 7.99016 5.00813 6.92307 5.14532 8.20298 9.02925 numMergedOcc 0
6 mol 39 unq 1 iso 0 dist 7.99016 5.00813 6.92307 5.93538 13.8642 9.76979 numMergedOcc 0
7 mol 39 unq 2 iso 0 dist 6.41793 5.00813 7.52517 5.14532 6.13351 9.02925 numMergedOcc 0
8 mol 39 unq 3 iso 0 dist 6.41793 5.00813 7.52517 5.93538 11.9954 9.76979 numMergedOcc 0
9 mol 39 unq 4 iso 0 dist 6.50101 5.00813 4.6056 5.14532 9.49942 9.02925 numMergedOcc 0
10 mol 39 unq 5 iso 0 dist 6.50101 5.00813 4.6056 5.93538 12.0671 9.76979 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 9.80137 5.54554 10.9307 4.16161 10.6893 6.13153 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 9.80137 6.84514 16.0168 4.16161 10.6893 5.7836 numMergedOcc 0
13 mol 48 unq 2 iso 0 dist 9.80137 8.95402 11.0434 4.16161 10.6893 5.89173 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 8.34893 5.54554 10.9184 4.16161 10.3169 6.13153 numMergedOcc 0
15 mol 48 unq 4 iso 0 dist 8.34893 6.84514 14.9962 4.16161 10.3169 5.7836 numMergedOcc 0
16 mol 48 unq 5 iso 0 dist 8.34893 8.95402 12.4168 4.16161 10.3169 5.89173 numMergedOcc 0
17 mol 48 unq 6 iso 0 dist 9.85865 5.5232 11.1315 4.20245 10.6858 5.8541 numMergedOcc 0
18 mol 48 unq 7 iso 0 dist 9.85865 7.05619 16.1553 4.20245 10.6858 5.82264 numMergedOcc 0
19 mol 48 unq 8 iso 0 dist 9.85865 7.05619 16.1553 14.3081 21.362 8.56365 numMergedOcc 0
20 mol 48 unq 9 iso 0 dist 8.74946 5.5232 11.3739 4.20245 10.7881 5.8541 numMergedOcc 0
21 mol 48 unq 10 iso 0 dist 8.74946 7.05619 15.5559 4.20245 10.7881 5.82264 numMergedOcc 0
22 mol 48 unq 11 iso 0 dist 8.74946 7.05619 15.5559 14.3081 21.2912 8.56365 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 7.0561 7.7346 3.70642 13.0818 6.87506 9.69694 numMergedOcc 0
24 mol 93 unq 0 iso 0 dist 6.18348 6.25522 5.31693 5.25485 10.0953 7.48947 numMergedOcc 0
25 mol 128 unq 0 iso 0 dist 9.12084 6.28471 7.73275 5.19611 12.9649 7.4442 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 6.99125 5.4206 3.37046 12.612 9.27009 8.40695 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 6.99125 9.56763 8.30017 12.612 9.27009 9.35867 numMergedOcc 0
28 mol 141 unq 2 iso 0 dist 6.99125 9.56763 8.30017 14.2446 13.5747 9.38036 numMergedOcc 0
29 mol 158 unq 0 iso 0 dist 6.11331 8.06621 11.6769 10.3886 12.8033 4.6512 numMergedOcc 0
30 mol 158 unq 1 iso 0 dist 6.11331 8.06621 11.6769 10.8263 9.97968 9.45696 numMergedOcc 0
31 mol 182 unq 0 iso 0 dist 7.88014 8.62437 10.0832 7.86543 12.7704 9.02127 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.31881 9.12783 3.11607 6.16503 6.88127 5.68985 numMergedOcc 0
33 mol 188 unq 0 iso 0 dist 7.79115 6.18257 3.42559 5.0782 8.66624 8.34477 numMergedOcc 0
34 mol 188 unq 1 iso 0 dist 7.79115 6.18257 3.42559 5.87427 11.506 8.4784 numMergedOcc 0
35 mol 198 unq 0 iso 0 dist 8.8864 5.20846 7.0121 9.86517 15.3535 8.78623 numMergedOcc 0
36 mol 198 unq 1 iso 0 dist 8.12201 5.20846 3.4601 9.86517 11.5067 8.78623 numMergedOcc 0
37 mol 198 unq 2 iso 0 dist 5.45162 5.20846 4.35222 9.86517 10.7287 8.78623 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 8.21997 6.20118 3.14057 4.23527 5.31416 5.05626 numMergedOcc 0
