0 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.1125 11.887 9.16962 17.2532 15.4381 15.962 7.84204 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 9.61766 4.71384 7.06308 14.0711 12.3849 9.89212 9.44125 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 7.19021 9.0702 7.2846 9.61766 4.71384 6.34173 14.0711 12.3849 5.84319 9.44125 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 11.074 10.2241 9.58673 6.09663 9.9105 4.59417 8.98478 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 11.074 7.05413 9.58673 6.09663 7.17488 4.59417 8.98478 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 16.3169 6.95868 9.2603 10.0091 6.65615 4.47193 9.08952 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 5.82918 6.95868 9.2603 6.15983 6.65615 4.47193 9.08952 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 7.86537 4.0486 8.31336 5.82918 6.97239 9.2603 6.15983 5.07548 4.47193 9.08952 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 16.2351 14.085 8.59981 18.7924 17.6043 14.8455 9.70065 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.17129 6.7991 4.93785 3.59953 8.29467 6.13927 6.91878 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 11.3587 6.67959 7.46831 8.3844 12.5607 8.3225 9.86587 numMergedOcc 0
11 mol 214 unq 1 iso 0 dist 5.36829 12.3481 8.85478 10.5513 6.67959 7.46831 17.696 12.5607 8.3225 9.86587 numMergedOcc 0
12 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 8.19915 4.65302 8.21247 3.76405 8.08965 4.75609 9.11149 numMergedOcc 0
13 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 10.8124 4.65302 8.21247 12.0808 8.08965 4.75609 9.11149 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 10.1897 12.9913 6.65799 9.28024 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 16.4831 11.9533 6.65799 9.28024 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 9.12507 5.59901 5.30224 10.5745 4.99891 6.77938 10.6139 9.18798 5.96249 8.22608 numMergedOcc 0
17 mol 259 unq 3 iso 0 dist 9.12507 5.59901 5.30224 10.5745 4.99891 6.77938 9.58753 8.25897 5.97386 5.23503 numMergedOcc 0
18 mol 259 unq 4 iso 0 dist 9.12507 5.59901 5.30224 8.46351 5.32839 7.76676 9.58753 8.25897 5.97386 9.61028 numMergedOcc 0
19 mol 259 unq 5 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 15.7974 11.1801 9.53031 9.28024 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 8.19504 3.93713 6.24356 11.1852 9.67998 9.5784 12.0694 15.2551 11.147 8.56867 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 8.19504 3.93713 6.24356 11.1852 9.67998 9.5784 10.6091 13.3874 10.0018 6.29872 numMergedOcc 0
