0 mol 6 unq 0 iso 0 dist 9.50612 11.823 9.07564 15.3597 6.94663 9.5447 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 6.46784 3.9416 9.07564 9.12748 6.94663 9.5447 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.63824 4.09817 9.58192 8.12171 4.11146 9.85784 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.11382 4.79206 7.7447 8.7263 9.63925 5.80953 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 5.81662 8.70524 5.4713 8.79504 3.57198 5.43693 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.29267 9.79892 8.18375 10.2613 6.07693 8.02443 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.29267 9.79892 8.18375 11.3221 5.25584 9.09458 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.56288 8.175 4.29937 10.6441 5.22259 5.05893 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.56288 9.3414 3.65628 10.6441 5.22259 5.71866 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 5.97559 8.175 5.37869 10.6441 7.66499 5.05893 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 5.97559 9.3414 4.05415 10.6441 7.66499 5.71866 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 5.96189 8.99253 8.28591 17.8823 15.6931 9.19977 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 5.96189 8.99253 8.28591 15.0062 13.5809 7.28831 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 5.96189 8.99253 8.28591 15.1232 10.6039 9.71411 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.44 15.8274 8.67025 15.3806 6.29259 9.30645 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 8.73302 10.5797 5.23187 9.13228 4.12242 7.58375 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.78251 12.6481 9.34653 16.2643 13.2309 6.88127 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 7.73964 4.0847 6.94187 6.77983 5.96435 8.15661 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 4.55528 8.22995 4.45769 7.71806 3.7326 4.19371 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 4.55528 12.3429 8.99961 7.71806 3.7326 9.71015 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 4.42095 8.22995 5.89939 7.71806 7.29209 4.19371 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 4.42095 12.3429 8.18853 7.71806 7.29209 9.71015 numMergedOcc 0
22 mol 194 unq 4 iso 0 dist 6.88386 7.39897 4.45769 9.59959 3.7326 4.19371 numMergedOcc 0
23 mol 194 unq 5 iso 0 dist 6.88386 10.3177 8.99961 9.59959 3.7326 9.71015 numMergedOcc 0
24 mol 194 unq 6 iso 0 dist 4.63898 7.39897 5.89939 9.59959 7.29209 4.19371 numMergedOcc 0
25 mol 194 unq 7 iso 0 dist 4.63898 10.3177 8.18853 9.59959 7.29209 9.71015 numMergedOcc 0
26 mol 194 unq 8 iso 0 dist 9.53641 15.1388 5.89939 15.4481 7.29209 4.19371 numMergedOcc 0
27 mol 194 unq 9 iso 0 dist 9.53641 14.9856 8.18853 15.4481 7.29209 9.71015 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 8.88629 6.96456 7.62991 14.1491 11.8619 8.09509 numMergedOcc 0
29 mol 252 unq 1 iso 0 dist 5.2116 12.3685 9.81261 8.35637 3.99887 8.09509 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 9.11501 5.75884 8.51564 9.64217 3.60349 6.75725 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.15937 6.49965 9.21469 11.2841 4.30125 8.6233 numMergedOcc 0
