0 mol 0 unq 0 iso 0 dist 9.19007 9.56794 7.73539 7.02374 7.92928 13.1832 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.88043 8.80762 4.95029 12.2708 9.55056 7.57354 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.88043 8.80762 4.95029 6.06176 7.45262 6.96586 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.80762 7.88043 4.95029 12.2708 7.57354 9.55056 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.80762 7.88043 4.95029 6.06176 6.96586 7.45262 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 6.82379 7.92414 10.9776 13.7792 8.94096 17.9095 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 6.82379 7.92414 10.9776 15.4959 9.07858 18.7627 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.92283 7.23962 16.3997 8.57646 7.82011 15.6259 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.56342 6.37542 8.77578 10.0197 9.87025 14.5497 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.56342 6.37542 8.77578 10.6679 5.85818 13.4689 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.92648 8.71039 8.59447 4.89973 9.39683 13.5259 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.41611 7.63338 7.96704 5.44503 6.40901 9.40626 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 8.41611 9.03707 11.1397 5.44503 6.40901 12.6197 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 8.41611 7.25673 10.7886 5.44503 6.40901 11.7726 numMergedOcc 0
14 mol 143 unq 3 iso 0 dist 7.63338 8.41611 7.96704 6.01455 8.1582 13.143 numMergedOcc 0
15 mol 143 unq 4 iso 0 dist 7.63338 8.41611 7.96704 5.44503 9.40626 6.40901 numMergedOcc 0
16 mol 143 unq 5 iso 0 dist 7.63338 9.03707 11.6633 6.01455 8.1582 12.5074 numMergedOcc 0
17 mol 143 unq 6 iso 0 dist 7.63338 9.03707 11.6633 5.44503 9.40626 12.6197 numMergedOcc 0
18 mol 143 unq 7 iso 0 dist 7.63338 7.25673 6.77212 6.01455 8.1582 7.88655 numMergedOcc 0
19 mol 143 unq 8 iso 0 dist 7.63338 7.25673 6.77212 5.44503 9.40626 11.7726 numMergedOcc 0
20 mol 143 unq 9 iso 0 dist 7.25673 8.41611 10.7886 6.01455 7.88655 13.143 numMergedOcc 0
21 mol 143 unq 10 iso 0 dist 7.25673 7.63338 6.77212 6.01455 7.88655 8.1582 numMergedOcc 0
22 mol 143 unq 11 iso 0 dist 7.25673 9.03707 6.48609 6.01455 7.88655 12.5074 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 9.43259 6.2319 4.10961 13.2847 6.87906 9.54367 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 9.43259 6.2319 4.10961 5.97294 7.94975 7.26859 numMergedOcc 0
25 mol 156 unq 2 iso 0 dist 9.43259 6.2319 4.10961 16.5051 8.49473 11.0407 numMergedOcc 0
26 mol 156 unq 3 iso 0 dist 9.43259 6.2319 4.10961 13.6496 9.39865 11.9353 numMergedOcc 0
27 mol 156 unq 4 iso 0 dist 6.2319 9.43259 4.10961 13.2847 9.54367 6.87906 numMergedOcc 0
28 mol 156 unq 5 iso 0 dist 6.2319 9.43259 4.10961 5.97294 7.26859 7.94975 numMergedOcc 0
29 mol 156 unq 6 iso 0 dist 7.73169 5.38091 11.9157 5.07967 7.04913 9.51582 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 7.35824 5.4969 8.63478 11.1651 7.01126 14.4251 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 7.35824 6.4318 6.77843 11.1651 7.01126 13.1849 numMergedOcc 0
32 mol 175 unq 2 iso 0 dist 7.35824 9.17364 7.07861 11.1651 7.01126 6.58434 numMergedOcc 0
33 mol 175 unq 3 iso 0 dist 9.17364 5.4969 13.3054 11.1651 6.58434 14.4251 numMergedOcc 0
34 mol 175 unq 4 iso 0 dist 9.17364 6.4318 10.0636 11.1651 6.58434 13.1849 numMergedOcc 0
35 mol 175 unq 5 iso 0 dist 9.17364 7.35824 7.07861 11.1651 6.58434 7.01126 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 9.83476 6.258 13.2879 13.1933 7.94153 18.3568 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 6.29367 8.86175 11.2353 6.05563 6.86795 13.8928 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 6.29367 8.86175 11.2353 8.36122 6.61099 8.8062 numMergedOcc 0
39 mol 218 unq 2 iso 0 dist 8.06216 5.76954 6.73047 7.47048 9.67381 6.61099 numMergedOcc 0
40 mol 218 unq 3 iso 0 dist 8.06216 6.29511 12.255 7.47048 9.67381 8.8062 numMergedOcc 0
41 mol 218 unq 4 iso 0 dist 5.76954 8.06216 6.73047 9.68444 6.86795 13.5976 numMergedOcc 0
42 mol 218 unq 5 iso 0 dist 5.76954 8.06216 6.73047 7.47048 6.61099 9.67381 numMergedOcc 0
43 mol 218 unq 6 iso 0 dist 5.76954 6.29511 11.2353 9.68444 6.86795 13.8928 numMergedOcc 0
44 mol 218 unq 7 iso 0 dist 5.76954 6.29511 11.2353 7.47048 6.61099 8.8062 numMergedOcc 0
45 mol 252 unq 0 iso 0 dist 6.11473 8.47784 8.15279 4.23801 6.57207 5.2361 numMergedOcc 0
46 mol 252 unq 1 iso 0 dist 6.11473 6.53679 6.75213 4.23801 6.57207 10.1637 numMergedOcc 0
47 mol 252 unq 2 iso 0 dist 8.47784 6.11473 8.15279 4.23801 5.2361 6.57207 numMergedOcc 0
48 mol 252 unq 3 iso 0 dist 8.47784 6.11473 8.15279 13.6996 5.57515 12.0339 numMergedOcc 0
49 mol 252 unq 4 iso 0 dist 8.47784 6.11473 8.15279 15.4395 8.28694 15.1632 numMergedOcc 0
50 mol 252 unq 5 iso 0 dist 8.47784 6.53679 12.9718 4.23801 5.2361 10.1637 numMergedOcc 0
51 mol 252 unq 6 iso 0 dist 8.47784 6.53679 12.9718 13.6996 5.57515 17.9218 numMergedOcc 0
52 mol 252 unq 7 iso 0 dist 8.47784 6.53679 12.9718 15.4395 8.28694 20.7522 numMergedOcc 0
