0 mol 0 unq 0 iso 0 dist 9.19007 7.02374 7.92928 10.9824 9.45228 7.48645 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.26831 10.3034 7.48645 12.412 9.45228 7.92928 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.72491 10.789 9.55056 9.67579 4.95029 7.57354 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.72491 10.515 7.45262 9.67579 4.95029 6.96586 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.88043 12.2708 9.55056 8.80762 4.95029 7.57354 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 7.88043 6.06176 7.45262 8.80762 4.95029 6.96586 numMergedOcc 0
6 mol 7 unq 4 iso 0 dist 8.80762 12.2708 7.57354 7.88043 4.95029 9.55056 numMergedOcc 0
7 mol 7 unq 5 iso 0 dist 8.80762 6.06176 6.96586 7.88043 4.95029 7.45262 numMergedOcc 0
8 mol 94 unq 0 iso 0 dist 8.16733 8.20144 5.18655 11.0933 11.6491 9.13207 numMergedOcc 0
9 mol 94 unq 1 iso 0 dist 9.97569 11.997 5.18655 18.0314 11.6491 9.13207 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.99857 7.36192 5.85818 15.5802 9.46857 9.05798 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.56342 10.6679 5.85818 17.7572 9.46857 9.05798 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.33077 8.84655 6.42785 10.3572 11.074 6.82089 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 9.28592 10.3933 6.82089 16.7892 11.074 6.42785 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 8.41611 5.44503 6.40901 7.63338 7.96704 9.40626 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 7.63338 6.01455 8.1582 7.25673 6.77212 7.88655 numMergedOcc 0
16 mol 143 unq 2 iso 0 dist 7.63338 5.44503 9.40626 8.41611 7.96704 6.40901 numMergedOcc 0
17 mol 143 unq 3 iso 0 dist 7.25673 6.01455 7.88655 7.63338 6.77212 8.1582 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 9.31851 10.5873 9.54367 10.9841 4.10961 6.87906 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 9.31851 4.73711 7.26859 10.9841 4.10961 7.94975 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 9.43259 13.2847 6.87906 6.2319 4.10961 9.54367 numMergedOcc 0
21 mol 156 unq 3 iso 0 dist 9.43259 5.97294 7.94975 6.2319 4.10961 7.26859 numMergedOcc 0
22 mol 156 unq 4 iso 0 dist 6.2319 13.2847 9.54367 9.43259 4.10961 6.87906 numMergedOcc 0
23 mol 156 unq 5 iso 0 dist 6.2319 5.97294 7.26859 9.43259 4.10961 7.94975 numMergedOcc 0
24 mol 156 unq 6 iso 0 dist 9.97732 14.42 9.54367 11.1392 4.10961 6.87906 numMergedOcc 0
25 mol 156 unq 7 iso 0 dist 9.97732 6.53729 7.26859 11.1392 4.10961 7.94975 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 7.35824 11.1651 7.01126 9.17364 7.07861 6.58434 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 9.17364 11.1651 6.58434 7.35824 7.07861 7.01126 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 8.44861 8.66809 5.42696 10.8209 4.96481 9.83885 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 5.60393 6.23291 5.42696 10.0424 4.96481 9.83885 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 8.0751 7.35842 6.23898 12.8316 6.52821 6.86795 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 6.29367 6.05563 6.86795 10.1924 6.52821 6.23898 numMergedOcc 0
32 mol 218 unq 2 iso 0 dist 6.29367 8.36122 6.61099 11.565 6.73047 9.67381 numMergedOcc 0
33 mol 218 unq 3 iso 0 dist 8.06216 7.47048 9.67381 5.76954 6.73047 6.61099 numMergedOcc 0
34 mol 218 unq 4 iso 0 dist 5.76954 9.68444 6.86795 11.8666 6.52821 6.23898 numMergedOcc 0
35 mol 218 unq 5 iso 0 dist 5.76954 7.47048 6.61099 8.06216 6.73047 9.67381 numMergedOcc 0
36 mol 218 unq 6 iso 0 dist 9.20961 11.4148 6.86795 13.624 6.52821 6.23898 numMergedOcc 0
37 mol 218 unq 7 iso 0 dist 9.20961 12.7963 6.61099 11.5105 6.73047 9.67381 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 9.18895 9.60485 7.95883 14.4938 12.258 5.13453 numMergedOcc 0
39 mol 225 unq 1 iso 0 dist 6.6561 8.69249 5.13453 16.3626 12.258 7.95883 numMergedOcc 0
40 mol 237 unq 0 iso 0 dist 7.42587 5.54394 7.35569 10.9884 4.30138 9.2604 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 5.52379 5.54325 6.89694 11.589 10.7873 6.44735 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 5.64181 5.17471 6.44735 11.9624 10.7873 6.89694 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 7.61393 10.7999 6.44735 16.718 10.7873 6.89694 numMergedOcc 0
44 mol 252 unq 0 iso 0 dist 6.11473 4.23801 6.57207 8.47784 8.15279 5.2361 numMergedOcc 0
45 mol 252 unq 1 iso 0 dist 8.47784 4.23801 5.2361 6.11473 8.15279 6.57207 numMergedOcc 0
46 mol 252 unq 2 iso 0 dist 8.66469 9.12442 5.2361 13.1135 8.15279 6.57207 numMergedOcc 0
47 mol 277 unq 0 iso 0 dist 6.57903 9.92201 7.25677 11.8702 6.33096 6.73126 numMergedOcc 0
48 mol 277 unq 1 iso 0 dist 9.65707 7.29899 7.25677 12.3616 6.33096 6.73126 numMergedOcc 0
49 mol 277 unq 2 iso 0 dist 9.3936 6.21891 6.73126 11.1272 6.33096 7.25677 numMergedOcc 0
