0 mol 45 unq 0 iso 0 dist 7.61402 8.19237 9.62637 10.6246 12.0234 7.97558 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 8.11293 8.19237 6.01423 10.6246 6.72134 7.97558 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.41365 5.01159 6.30987 6.10175 10.352 5.7405 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.33168 3.85135 5.84875 13.5772 4.86374 9.78973 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 7.93388 4.936 5.84875 12.7012 4.86374 9.78973 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.36397 4.665 6.72712 4.85152 6.12826 7.44343 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.58062 5.47738 7.1539 4.85152 5.02124 7.2131 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 6.58062 4.665 5.39745 4.85152 5.02124 7.44343 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.90311 14.3305 6.51395 13.6728 8.59522 7.78223 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 9.88812 7.11876 6.49383 10.9832 7.15601 6.63731 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.28362 6.3353 6.75145 11.5819 9.40894 8.44423 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.28362 6.3353 6.75145 11.0826 7.19897 6.16169 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 5.60137 6.3353 8.1856 11.5819 12.8232 8.44423 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 5.60137 6.3353 8.1856 11.0826 11.4106 6.16169 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.10681 12.7134 7.31037 16.8827 10.3678 7.35385 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 9.40225 5.02458 5.81122 6.67598 10.3893 9.6281 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 9.40225 5.02458 5.81122 8.79185 7.02779 6.22667 numMergedOcc 0
17 mol 156 unq 2 iso 0 dist 7.49255 3.98813 5.81122 11.986 10.3893 9.6281 numMergedOcc 0
18 mol 156 unq 3 iso 0 dist 7.49255 3.98813 5.81122 10.0206 7.02779 6.22667 numMergedOcc 0
19 mol 156 unq 4 iso 0 dist 4.94012 6.29145 5.81122 11.5769 10.3893 9.6281 numMergedOcc 0
20 mol 156 unq 5 iso 0 dist 4.94012 6.29145 5.81122 10.7962 7.02779 6.22667 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 9.21278 5.81919 9.19117 14.3793 12.677 9.27911 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 8.94854 13.3182 7.10413 13.2151 5.30261 9.92671 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.10967 5.41296 7.02079 8.78008 5.28695 5.4347 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 7.83632 9.68993 7.02079 11.5128 5.28695 5.4347 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 6.52138 5.01342 9.58354 13.8567 15.4561 9.6479 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.418 4.34105 8.92185 6.6731 5.84058 8.02757 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.10823 11.2938 8.92185 9.83696 5.84058 8.02757 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 8.84139 4.32336 7.7574 8.38727 5.36282 8.02757 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 9.26725 4.34105 7.7574 6.6731 5.36282 8.02757 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 6.10834 4.99186 9.24367 8.76889 7.28266 8.16582 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 8.24233 8.17282 9.24367 7.04397 7.28266 8.16582 numMergedOcc 0
32 mol 279 unq 2 iso 0 dist 8.50767 14.2536 9.24367 10.6842 7.28266 8.16582 numMergedOcc 0
