0 mol 51 unq 0 iso 0 dist 6.67213 7.01107 4.63184 9.42746 12.7972 9.11764 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.72872 6.6367 6.91496 7.72003 7.16132 9.41463 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.27156 8.32519 5.9487 7.751 6.9103 9.19512 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.9651 7.51631 10.9724 4.60844 9.8703 8.19932 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.27307 5.38363 8.67853 5.29207 5.99857 9.08745 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 6.92837 5.38363 10.8149 5.29207 6.9362 9.08745 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.85583 8.83567 4.69658 10.864 8.47988 5.92828 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 7.85583 8.83567 4.69658 9.95307 8.0427 9.1247 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 8.86938 6.79584 4.69658 9.50897 8.47988 5.92828 numMergedOcc 0
9 mol 112 unq 3 iso 0 dist 8.86938 6.79584 4.69658 11.9673 8.0427 9.1247 numMergedOcc 0
10 mol 112 unq 4 iso 0 dist 7.42474 6.79584 13.1881 9.50897 16.8523 5.92828 numMergedOcc 0
11 mol 112 unq 5 iso 0 dist 7.42474 6.79584 13.1881 11.9673 19.0564 9.1247 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 7.2443 6.36631 6.54263 13.8532 14.9043 8.67025 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 7.2443 6.24308 3.92558 11.2557 11.6298 9.60127 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 4.93681 6.4119 4.05822 9.85239 7.81207 5.42679 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 9.57509 8.40522 9.082 5.01365 11.4271 5.42679 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.66837 7.37255 7.72421 6.72578 9.82249 6.77583 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 5.21803 8.7019 4.68369 4.6728 7.37333 8.91326 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 5.21803 8.7019 4.68369 7.06734 7.45998 8.33649 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.28961 7.07933 5.38859 6.43144 11.1627 9.06172 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 6.28961 7.07933 5.38859 6.37039 11.4792 8.93091 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.52413 8.86574 4.04122 6.21482 7.2793 9.34653 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.14464 8.81424 9.76678 5.30128 12.0438 8.74463 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 9.93754 8.81424 9.72811 5.30128 6.50998 8.74463 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.07206 6.26593 13.3122 10.6477 16.2887 9.87744 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 6.95233 7.96613 14.5358 8.86075 14.7378 7.72861 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 9.61741 7.96613 13.7682 8.86075 12.2818 7.72861 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 5.61056 7.96613 11.879 8.86075 13.151 7.72861 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 6.44657 5.93983 8.33646 7.67857 7.80862 7.73438 numMergedOcc 0
