0 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 4.79736 12.3058 7.77964 12.1034 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.38394 8.09311 6.17155 9.05357 10.3122 9.95274 4.79736 10.6772 7.77964 12.1034 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.04899 6.55597 4.69295 7.52933 5.03027 6.53015 6.47509 7.05196 8.07318 11.842 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 5.04899 6.55597 4.69295 9.71956 12.2542 9.19736 6.47509 7.05196 8.07318 13.5069 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 5.04899 6.55597 4.69295 7.07751 8.79309 5.78812 6.47509 7.05196 8.07318 10.9998 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 5.04899 6.55597 4.69295 8.23761 8.17061 7.36721 6.47509 7.05196 8.07318 13.599 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 5.04899 6.55597 4.69295 9.49421 13.6145 12.1732 6.47509 7.05196 8.07318 10.156 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 7.57578 4.79873 10.2864 9.48085 5.18617 12.7147 5.63212 10.9703 7.44277 10.156 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 7.17969 4.79873 11.4148 9.48085 5.68041 12.7147 5.63212 10.3338 7.44277 10.156 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.70481 5.5087 11.2069 6.08682 10.6713 5.30471 6.41115 15.0347 8.46627 9.22208 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.70481 6.08682 10.6713 5.5087 11.2069 5.30471 6.41115 15.0347 9.22208 8.46627 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 7.27724 9.3948 3.94537 9.74607 6.12605 8.00584 13.086 10.3995 8.75345 16.2444 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 8.03644 9.3948 11.3215 9.74607 5.06946 8.00584 13.086 18.3711 8.75345 16.2444 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 7.69765 10.3209 11.044 6.01673 13.22 7.65564 9.0534 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 5.83991 9.42082 6.63111 7.69765 4.48636 11.044 6.01673 6.24825 7.65564 9.0534 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 7.88312 9.42082 6.07067 7.69765 11.835 11.044 6.01673 10.0255 7.65564 9.0534 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 10.8635 9.33094 8.62504 15.9693 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 9.86662 8.69531 7.41373 9.1998 12.8086 5.83782 4.00092 7.21868 8.62504 11.2397 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 10.8635 8.69531 8.62504 15.9693 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 9.71307 8.69531 10.8635 9.1998 15.0225 5.83782 4.00092 7.93372 8.62504 11.2397 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 5.99315 5.40637 7.39837 7.36975 13.1926 10.1474 4.78563 5.37047 9.29944 9.94557 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.81386 9.01624 5.71898 6.64173 6.8757 11.196 5.42158 9.81178 9.92831 11.0482 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 7.81386 9.01624 5.71898 9.55105 5.83796 3.55187 5.42158 9.81178 9.92831 12.1187 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 7.63312 9.01624 5.93724 6.64173 10.6474 11.196 5.42158 10.6106 9.92831 11.0482 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 7.63312 9.01624 5.93724 9.55105 5.12833 3.55187 5.42158 10.6106 9.92831 12.1187 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 7.48954 9.53117 3.58181 8.34852 12.0171 8.14294 5.72 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 7.21333 7.48954 9.53117 5.56538 6.84862 3.58181 8.34852 12.0171 5.72 8.14294 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 8.23192 7.10671 5.74165 8.67156 9.89868 6.67199 5.71505 8.69318 8.20943 12.9457 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 9.35539 11.4555 16.9644 3.97543 12.1398 7.16209 13.0595 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 6.92711 14.772 3.39114 3.97543 12.1398 7.16209 4.62936 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 9.7748 6.92711 14.772 9.35539 11.4555 15.8851 3.97543 12.1398 4.62936 13.0595 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 9.7748 6.92711 14.772 8.9682 17.6038 3.39114 3.97543 12.1398 4.62936 7.16209 numMergedOcc 0
