0 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 5.11636 7.95042 12.6165 4.79736 12.3058 7.77964 8.32593 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 5.04899 7.05196 6.47509 5.03027 7.52933 11.842 4.69295 6.55597 8.07318 6.53015 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 5.04899 7.05196 6.47509 5.03027 7.52933 11.842 11.6045 12.3944 7.44277 15.7823 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 5.04899 7.05196 6.47509 4.69295 6.55597 8.07318 11.6045 12.3944 7.44277 9.7883 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 5.04899 7.05196 6.47509 12.2542 9.71956 13.5069 4.69295 6.55597 8.07318 9.19736 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 5.04899 7.05196 6.47509 12.2542 9.71956 13.5069 11.6045 12.3944 7.44277 15.122 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 5.04899 7.05196 6.47509 8.79309 7.07751 10.9998 4.69295 6.55597 8.07318 5.78812 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 5.04899 7.05196 6.47509 8.79309 7.07751 10.9998 11.6045 12.3944 7.44277 13.1326 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 5.04899 7.05196 6.47509 8.17061 8.23761 13.599 4.69295 6.55597 8.07318 7.36721 numMergedOcc 0
9 mol 25 unq 8 iso 0 dist 5.04899 7.05196 6.47509 8.17061 8.23761 13.599 11.6045 12.3944 7.44277 16.9783 numMergedOcc 0
10 mol 25 unq 9 iso 0 dist 5.04899 7.05196 6.47509 13.6145 9.49421 10.156 4.69295 6.55597 8.07318 12.1732 numMergedOcc 0
11 mol 25 unq 10 iso 0 dist 5.04899 7.05196 6.47509 13.6145 9.49421 10.156 11.6045 12.3944 7.44277 12.7147 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 5.73819 6.66407 5.07458 4.96926 6.75943 8.34145 11.4153 13.8936 9.50614 12.7961 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.03644 9.3948 11.3215 15.6249 8.27883 17.5698 13.086 18.3711 8.75345 25.7142 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.03644 9.3948 11.3215 12.4896 5.75428 17.0645 13.086 18.3711 8.75345 23.9464 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 8.03644 9.3948 11.3215 14.2178 8.57395 17.8653 13.086 18.3711 8.75345 23.5802 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 8.03644 9.3948 11.3215 8.78079 9.85409 14.0648 13.086 18.3711 8.75345 16.6051 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 5.03039 6.04595 14.3113 6.01673 13.22 7.65564 9.74247 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 5.83991 6.24825 6.01673 4.48636 7.69765 9.0534 6.63111 9.42082 7.65564 11.044 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 6.37586 9.33094 10.8635 6.95573 9.33924 15.9693 8.06642 7.93372 8.62504 11.4107 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.86662 7.21868 4.00092 12.8086 9.1998 11.2397 7.41373 8.69531 8.62504 5.83782 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 9.71307 7.93372 4.00092 15.0225 9.1998 11.2397 10.8635 8.69531 8.62504 5.83782 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 9.71307 8.69531 10.8635 10.2026 9.33924 15.9693 4.00092 7.93372 8.62504 11.4107 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 5.99315 5.37047 4.78563 13.1926 7.36975 9.94557 7.39837 5.40637 9.29944 10.1474 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 6.69288 7.06025 6.42973 8.44333 9.11204 9.32938 10.8974 9.79683 7.86352 5.16452 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 7.31233 9.12776 10.3162 11.0772 9.08509 9.51483 5.71717 10.1172 4.66186 11.1752 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 8.23192 8.69318 5.71505 5.74165 7.10671 8.20943 10.2068 10.5519 8.30024 6.27924 numMergedOcc 0
27 mol 243 unq 1 iso 0 dist 8.23192 8.69318 5.71505 9.89868 8.67156 12.9457 10.2068 10.5519 8.30024 12.0893 numMergedOcc 0
28 mol 243 unq 2 iso 0 dist 8.23192 8.69318 5.71505 9.89868 8.67156 12.9457 5.74165 7.10671 8.20943 6.67199 numMergedOcc 0
