0 mol 24 unq 0 iso 0 dist 5.11382 11.1055 8.25818 8.7263 9.63925 7.85986 14.1329 13.302 9.24731 6.61696 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.11382 11.1055 8.25818 8.7263 9.63925 7.85986 4.79206 7.7447 11.1587 5.80953 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.81662 3.8412 3.77542 8.79504 3.57198 5.53419 8.70524 5.4713 6.08836 5.43693 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 8.31952 10.8889 7.20729 9.69031 11.3818 3.3785 6.07052 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.29267 6.02092 4.15789 10.2613 6.07693 8.84225 9.79892 8.18375 6.49084 8.02443 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 6.29267 6.02092 4.15789 11.3221 5.25584 6.72546 9.79892 8.18375 6.49084 9.09458 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.56288 7.14242 6.67137 10.6441 5.22259 8.04853 8.175 4.29937 3.65186 5.05893 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 6.56288 7.14242 6.67137 10.6441 5.22259 8.04853 9.3414 3.65628 7.00044 5.71866 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 5.97559 7.14242 7.04244 10.6441 7.66499 8.04853 8.175 5.37869 3.65186 5.05893 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 5.97559 7.14242 7.04244 10.6441 7.66499 8.04853 9.3414 4.05415 7.00044 5.71866 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 8.23294 3.27874 5.20429 7.24843 5.01255 5.56839 13.069 14.057 13.1331 9.19977 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 8.23294 3.27874 5.20429 7.63783 8.98901 7.83506 13.069 14.057 13.1331 7.28831 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 8.2702 3.27874 8.71366 7.24843 9.11323 5.56839 13.069 15.797 13.1331 9.19977 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 8.2702 3.27874 8.71366 7.63783 8.52329 7.83506 13.069 15.797 13.1331 7.28831 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.44 12.8761 5.31126 15.3806 6.29259 7.40338 15.8274 8.67025 9.59189 9.30645 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 8.47634 12.8761 7.16619 15.3806 7.08122 7.40338 15.8274 11.1678 9.59189 9.30645 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.14978 9.809 4.88514 10.6158 3.80087 4.92382 12.8473 9.5889 5.83839 7.42144 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 8.14978 9.809 4.88514 10.6158 3.80087 4.92382 12.9142 8.03978 3.7404 6.27658 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 4.55528 4.02402 5.10542 7.71806 3.7326 8.43182 8.22995 4.45769 9.23342 4.19371 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 4.55528 4.02402 5.10542 7.71806 3.7326 8.43182 12.3429 8.99961 11.7699 9.71015 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 4.42095 4.02402 4.68722 7.71806 7.29209 8.43182 8.22995 5.89939 9.23342 4.19371 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 4.42095 4.02402 4.68722 7.71806 7.29209 8.43182 12.3429 8.18853 11.7699 9.71015 numMergedOcc 0
22 mol 194 unq 4 iso 0 dist 6.88386 8.31549 5.10542 9.59959 3.7326 8.43182 7.39897 4.45769 9.23342 4.19371 numMergedOcc 0
23 mol 194 unq 5 iso 0 dist 6.88386 8.31549 5.10542 9.59959 3.7326 8.43182 10.3177 8.99961 11.7699 9.71015 numMergedOcc 0
24 mol 194 unq 6 iso 0 dist 4.63898 8.31549 4.68722 9.59959 7.29209 8.43182 7.39897 5.89939 9.23342 4.19371 numMergedOcc 0
25 mol 194 unq 7 iso 0 dist 4.63898 8.31549 4.68722 9.59959 7.29209 8.43182 10.3177 8.18853 11.7699 9.71015 numMergedOcc 0
26 mol 194 unq 8 iso 0 dist 9.53641 7.40457 4.68722 15.4481 7.29209 8.43182 15.1388 5.89939 9.23342 4.19371 numMergedOcc 0
27 mol 194 unq 9 iso 0 dist 9.53641 7.40457 4.68722 15.4481 7.29209 8.43182 14.9856 8.18853 11.7699 9.71015 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 9.11501 9.99682 7.04263 9.64217 3.60349 6.12343 5.75884 8.51564 8.22506 6.75725 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 9.11501 9.99682 7.04263 9.64217 3.60349 6.12343 18.3017 11.5762 9.94995 9.31888 numMergedOcc 0
30 mol 260 unq 2 iso 0 dist 9.11501 7.52009 6.48099 9.64217 3.60349 4.52405 5.75884 8.51564 3.68866 6.75725 numMergedOcc 0
31 mol 260 unq 3 iso 0 dist 9.11501 7.52009 6.48099 9.64217 3.60349 4.52405 18.3017 11.5762 12.8784 9.31888 numMergedOcc 0
