0 mol 10 unq 0 iso 0 dist 8.03458 8.2106 10.4382 4.37568 9.97671 7.83087 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.2106 8.03458 10.4382 7.54307 9.9373 11.7194 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 8.2106 8.03458 10.4382 4.37568 7.83087 9.97671 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 7.34681 9.5937 11.0023 4.2802 6.64199 12.7522 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.33947 9.34861 4.75078 6.37369 5.68794 8.9964 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 9.34861 8.33947 4.75078 6.37369 8.9964 5.68794 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 6.75602 9.75377 10.3589 9.86323 7.16598 13.9606 numMergedOcc 0
7 mol 41 unq 1 iso 0 dist 6.75602 9.75377 10.3589 7.46776 7.42476 11.075 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.40644 5.35252 5.43494 8.12843 7.33788 8.52681 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 9.40644 5.35252 5.43494 9.72202 9.74351 9.98769 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 9.40644 5.35252 5.43494 12.7252 7.36877 10.9073 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 5.35252 9.40644 5.43494 8.12843 8.52681 7.33788 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 5.35252 9.40644 5.43494 9.72202 9.98769 9.74351 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 10.9916 8.6701 11.9535 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 5.41357 9.30042 4.78627 7.48046 8.6701 11.9535 numMergedOcc 0
15 mol 67 unq 0 iso 0 dist 5.80736 8.27009 8.61446 8.43533 9.10001 15.7437 numMergedOcc 0
16 mol 87 unq 0 iso 0 dist 9.90256 5.63748 10.445 13.3292 9.20673 16.8513 numMergedOcc 0
17 mol 159 unq 0 iso 0 dist 9.9368 9.54337 14.3749 13.1056 8.61788 20.8402 numMergedOcc 0
18 mol 159 unq 1 iso 0 dist 9.9368 6.86212 4.82545 13.1056 8.61788 12.2041 numMergedOcc 0
19 mol 174 unq 0 iso 0 dist 8.16228 8.57467 5.33032 4.40064 8.60718 9.40371 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 8.97652 8.29364 5.77399 14.3669 8.69656 13.3057 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.72718 8.72949 10.4327 8.09407 8.92335 16.1364 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 6.2016 8.3453 6.63296 9.82858 7.97601 13.1706 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 7.31608 7.96226 5.19836 6.23998 7.80646 5.95109 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 7.96226 7.31608 5.19836 6.23998 5.95109 7.80646 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 8.86185 9.01071 15.9311 6.16212 9.58325 14.428 numMergedOcc 0
26 mol 244 unq 0 iso 0 dist 7.79787 7.43391 12.5222 4.80974 9.45199 11.4167 numMergedOcc 0
27 mol 244 unq 1 iso 0 dist 7.79787 7.43391 12.5222 13.59 9.07512 19.1923 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 3.67935 8.00386 6.79958 8.32339 9.04147 15.1455 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 6.0437 7.58385 5.29945 4.0136 7.14871 10.3175 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 4.85199 9.72159 10.4196 4.30068 7.14871 13.812 numMergedOcc 0
31 mol 261 unq 2 iso 0 dist 9.13604 6.89731 10.4196 10.2597 7.14871 13.812 numMergedOcc 0
32 mol 261 unq 3 iso 0 dist 9.13604 9.85607 10.8346 10.2597 7.14871 16.4733 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 9.0836 9.62494 5.40028 7.52317 6.39822 8.61077 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 9.0836 9.62494 5.40028 9.52953 5.36518 9.11585 numMergedOcc 0
35 mol 266 unq 2 iso 0 dist 9.62494 9.0836 5.40028 5.79323 9.90506 10.3444 numMergedOcc 0
36 mol 266 unq 3 iso 0 dist 9.62494 9.0836 5.40028 7.52317 8.61077 6.39822 numMergedOcc 0
37 mol 266 unq 4 iso 0 dist 9.62494 9.0836 5.40028 9.52953 9.11585 5.36518 numMergedOcc 0
38 mol 282 unq 0 iso 0 dist 6.04225 8.54984 5.72971 4.01024 7.21879 11.1643 numMergedOcc 0
39 mol 282 unq 1 iso 0 dist 5.00258 9.98886 10.6828 4.4471 7.21879 14.1761 numMergedOcc 0
40 mol 282 unq 2 iso 0 dist 8.22117 6.81887 10.6828 10.1631 7.21879 14.1761 numMergedOcc 0
41 mol 282 unq 3 iso 0 dist 9.98886 5.00258 10.6828 12.5442 9.60384 13.1317 numMergedOcc 0
42 mol 282 unq 4 iso 0 dist 6.81887 8.22117 10.6828 7.00145 9.60384 13.1317 numMergedOcc 0
