0 mol 26 unq 0 iso 0 dist 8.36742 8.90517 8.97754 12.3309 12.4814 6.38243 4.52042 7.98005 7.11305 8.44506 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.55023 15.057 9.63906 17.9499 9.21465 9.45329 12.9158 8.06267 5.74372 7.9814 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 4.39888 8.48041 9.63906 11.085 9.21465 9.45329 6.13436 8.06267 5.74372 7.9814 numMergedOcc 0
3 mol 68 unq 2 iso 0 dist 5.29595 8.48041 7.71872 11.085 6.22999 9.45329 6.13436 5.88334 5.74372 7.9814 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.78342 6.76244 9.67744 11.104 10.9803 5.71763 13.9048 18.8402 9.34182 9.81831 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 9.78342 6.76244 9.67744 11.104 10.9803 5.71763 16.7979 19.9253 12.0103 9.12858 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 9.78342 6.76244 9.67744 11.104 10.9803 5.71763 19.4087 19.377 12.9351 9.4523 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.41675 5.36267 8.49847 11.1333 9.93041 6.78801 5.34194 11.6414 4.57579 9.15431 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 8.41675 5.36267 8.49847 11.1333 9.93041 6.78801 12.3264 15.2551 8.57203 6.92648 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 8.41675 5.36267 8.49847 11.1333 9.93041 6.78801 17.5078 18.8134 12.6005 9.29384 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.45086 11.0504 9.4366 14.3389 8.54557 6.07389 22.1825 15.2176 15.0914 9.83476 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 7.26295 11.023 4.45769 15.0285 7.82899 5.53324 15.6354 9.52922 10.0756 6.26839 numMergedOcc 0
12 mol 194 unq 1 iso 0 dist 7.26295 11.023 4.45769 15.0285 7.82899 5.53324 17.5901 11.2599 10.2793 8.12346 numMergedOcc 0
13 mol 194 unq 2 iso 0 dist 7.26295 11.023 4.45769 15.0285 7.82899 5.53324 21.3384 14.7152 10.463 8.83356 numMergedOcc 0
14 mol 194 unq 3 iso 0 dist 7.26295 11.023 4.45769 15.0285 7.82899 5.53324 21.8311 14.7929 12.8494 8.2654 numMergedOcc 0
15 mol 194 unq 4 iso 0 dist 7.31316 11.023 5.89939 15.0285 10.0237 5.53324 15.6354 11.7672 10.0756 6.26839 numMergedOcc 0
16 mol 194 unq 5 iso 0 dist 7.31316 11.023 5.89939 15.0285 10.0237 5.53324 17.5901 11.0369 10.2793 8.12346 numMergedOcc 0
17 mol 194 unq 6 iso 0 dist 7.31316 11.023 5.89939 15.0285 10.0237 5.53324 21.3384 15.9798 10.463 8.83356 numMergedOcc 0
18 mol 194 unq 7 iso 0 dist 7.31316 11.023 5.89939 15.0285 10.0237 5.53324 21.8311 15.7836 12.8494 8.2654 numMergedOcc 0
19 mol 194 unq 8 iso 0 dist 8.9865 9.72284 5.89939 12.9058 10.0237 5.53324 16.471 11.7672 10.0756 6.26839 numMergedOcc 0
20 mol 194 unq 9 iso 0 dist 8.9865 9.72284 5.89939 12.9058 10.0237 5.53324 11.1018 11.0369 10.2793 8.12346 numMergedOcc 0
21 mol 194 unq 10 iso 0 dist 8.9865 9.72284 5.89939 12.9058 10.0237 5.53324 14.3533 15.9798 10.463 8.83356 numMergedOcc 0
22 mol 194 unq 11 iso 0 dist 8.9865 9.72284 5.89939 12.9058 10.0237 5.53324 15.6369 15.7836 12.8494 8.2654 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 8.33245 11.0888 6.39673 7.11989 3.98816 7.97027 6.3985 10.3894 9.01393 9.2581 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 8.33245 11.0888 6.39673 7.11989 3.98816 7.97027 11.068 13.2354 13.3586 9.62632 numMergedOcc 0
25 mol 222 unq 2 iso 0 dist 8.33245 11.0888 6.39673 7.11989 3.98816 7.97027 12.6853 10.2446 8.84507 7.862 numMergedOcc 0
26 mol 222 unq 3 iso 0 dist 8.33245 6.80198 7.80676 7.11989 3.98816 4.9876 6.3985 10.3894 5.64455 9.2581 numMergedOcc 0
27 mol 222 unq 4 iso 0 dist 8.33245 6.80198 7.80676 7.11989 3.98816 4.9876 11.068 13.2354 5.9478 9.62632 numMergedOcc 0
28 mol 222 unq 5 iso 0 dist 8.33245 6.80198 7.80676 7.11989 3.98816 4.9876 12.6853 10.2446 6.02502 7.862 numMergedOcc 0
29 mol 251 unq 0 iso 0 dist 9.20256 7.52349 7.72528 13.4766 10.3735 6.42747 8.22506 11.6079 4.86046 8.01198 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 7.54349 7.44658 7.62991 12.1789 10.4138 9.39658 11.2158 11.065 5.6214 6.11473 numMergedOcc 0
31 mol 252 unq 1 iso 0 dist 7.54349 7.44658 7.62991 10.8478 6.33781 5.9974 11.2158 11.065 5.6214 6.53679 numMergedOcc 0
32 mol 252 unq 2 iso 0 dist 7.54349 7.44658 7.62991 10.8478 6.33781 5.9974 14.8036 12.8652 7.40852 7.50201 numMergedOcc 0
33 mol 252 unq 3 iso 0 dist 7.38867 8.846 9.81261 16.6937 19.1465 9.39658 12.8505 14.2216 5.6214 6.11473 numMergedOcc 0
34 mol 252 unq 4 iso 0 dist 7.38867 8.846 9.81261 14.6356 14.8966 5.9974 12.8505 14.2216 5.6214 6.53679 numMergedOcc 0
35 mol 252 unq 5 iso 0 dist 7.38867 8.846 9.81261 14.6356 14.8966 5.9974 14.864 12.9602 7.40852 7.50201 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 9.26331 4.97003 8.55386 11.0107 9.4435 7.14086 14.134 14.1991 11.4167 6.04162 numMergedOcc 0
37 mol 264 unq 1 iso 0 dist 9.26331 4.97003 8.55386 11.0107 9.4435 7.14086 16.6386 13.9142 13.2035 6.14323 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 5.16266 5.03747 4.98693 7.84195 7.93548 5.8304 11.4893 10.6394 6.5644 8.29305 numMergedOcc 0
39 mol 279 unq 1 iso 0 dist 5.16266 5.03747 4.98693 7.84195 7.93548 5.8304 12.9462 13.2372 9.40912 6.43341 numMergedOcc 0
