0 mol 24 unq 0 iso 0 dist 5.11382 4.79206 7.7447 11.1055 8.25818 11.1587 8.7263 9.63925 5.80953 7.85986 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.56722 14.9575 9.2146 10.0008 7.08766 16.0765 18.0728 10.8722 18.1707 8.69709 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.81662 8.70524 5.4713 3.8412 3.77542 6.08836 8.79504 3.57198 5.43693 5.53419 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 6.29267 5.22146 7.92114 6.02092 4.15789 4.69555 10.2613 6.07693 11.5917 8.84225 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 6.29267 5.22146 7.92114 6.02092 4.15789 4.69555 11.3221 5.25584 11.3093 6.72546 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 6.29267 9.79892 8.18375 6.02092 4.15789 6.49084 10.2613 6.07693 8.02443 8.84225 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 6.29267 9.79892 8.18375 6.02092 4.15789 6.49084 11.3221 5.25584 9.09458 6.72546 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.56288 8.175 4.29937 7.14242 6.67137 3.65186 10.6441 5.22259 5.05893 8.04853 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.56288 9.3414 3.65628 7.14242 6.67137 7.00044 10.6441 5.22259 5.71866 8.04853 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 6.56288 14.8394 9.77774 7.14242 6.67137 16.1804 10.6441 5.22259 11.3323 8.04853 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 5.97559 8.175 5.37869 7.14242 7.04244 3.65186 10.6441 7.66499 5.05893 8.04853 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 5.97559 9.3414 4.05415 7.14242 7.04244 7.00044 10.6441 7.66499 5.71866 8.04853 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 5.97559 14.8394 9.97944 7.14242 7.04244 16.1804 10.6441 7.66499 11.3323 8.04853 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.44 15.8274 8.67025 12.8761 5.31126 9.59189 15.3806 6.29259 9.30645 7.40338 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 9.44 15.8274 8.67025 12.8761 5.31126 9.59189 17.2791 8.17309 10.6797 6.23759 numMergedOcc 0
15 mol 113 unq 2 iso 0 dist 8.47634 3.66763 9.60127 12.8761 7.16619 13.8379 15.3806 7.08122 15.7833 7.40338 numMergedOcc 0
16 mol 113 unq 3 iso 0 dist 8.47634 3.66763 9.60127 12.8761 7.16619 13.8379 17.2791 9.30967 18.0904 6.23759 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 4.55528 8.22995 4.45769 4.02402 5.10542 9.23342 7.71806 3.7326 4.19371 8.43182 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 4.55528 12.3429 8.99961 4.02402 5.10542 11.7699 7.71806 3.7326 9.71015 8.43182 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 4.42095 8.22995 5.89939 4.02402 4.68722 9.23342 7.71806 7.29209 4.19371 8.43182 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 4.42095 12.3429 8.18853 4.02402 4.68722 11.7699 7.71806 7.29209 9.71015 8.43182 numMergedOcc 0
21 mol 194 unq 4 iso 0 dist 6.88386 7.39897 4.45769 8.31549 5.10542 9.23342 9.59959 3.7326 4.19371 8.43182 numMergedOcc 0
22 mol 194 unq 5 iso 0 dist 6.88386 10.3177 8.99961 8.31549 5.10542 11.7699 9.59959 3.7326 9.71015 8.43182 numMergedOcc 0
23 mol 194 unq 6 iso 0 dist 4.63898 7.39897 5.89939 8.31549 4.68722 9.23342 9.59959 7.29209 4.19371 8.43182 numMergedOcc 0
24 mol 194 unq 7 iso 0 dist 4.63898 10.3177 8.18853 8.31549 4.68722 11.7699 9.59959 7.29209 9.71015 8.43182 numMergedOcc 0
25 mol 194 unq 8 iso 0 dist 9.53641 15.1388 5.89939 7.40457 4.68722 9.23342 15.4481 7.29209 4.19371 8.43182 numMergedOcc 0
26 mol 194 unq 9 iso 0 dist 9.53641 14.9856 8.18853 7.40457 4.68722 11.7699 15.4481 7.29209 9.71015 8.43182 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 9.11501 5.75884 8.51564 9.99682 7.04263 8.22506 9.64217 3.60349 6.75725 6.12343 numMergedOcc 0
28 mol 260 unq 1 iso 0 dist 9.11501 5.75884 8.51564 7.52009 6.48099 3.68866 9.64217 3.60349 6.75725 4.52405 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.4589 4.68668 3.66473 16.4834 9.88575 11.805 8.58427 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.4589 4.68668 3.66473 16.4834 9.88575 11.805 8.58427 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.4589 4.68668 3.66473 16.4834 9.88575 11.805 8.58427 numMergedOcc 0
