0 mol 0 unq 0 iso 0 dist 9.19007 9.56794 7.73539 9.67081 16.5238 11.9068 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.56794 9.19007 7.73539 9.67081 11.9068 16.5238 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.88043 8.80762 4.95029 7.78327 10.6558 13.5227 numMergedOcc 0
3 mol 7 unq 0 iso 1 dist 8.80762 7.88043 4.95029 7.78327 13.5227 10.6558 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 7.57959 7.05737 5.72847 7.68478 8.44315 4.841 numMergedOcc 0
5 mol 38 unq 0 iso 1 dist 7.05737 7.57959 5.72847 7.68478 4.841 8.44315 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.85586 7.11 8.2073 7.37171 12.6176 14.2305 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 7.11 8.85586 8.2073 7.37171 14.2305 12.6176 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 6.61823 6.49956 7.67353 8.85601 13.129 12.8901 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 6.49956 6.61823 7.67353 8.85601 12.8901 13.129 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.98934 7.99623 4.68039 7.60162 9.53672 8.90156 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 7.99623 6.98934 4.68039 7.60162 8.90156 9.53672 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.41611 7.63338 7.96704 8.99891 7.87644 13.5899 numMergedOcc 0
13 mol 143 unq 0 iso 1 dist 7.63338 8.41611 7.96704 8.99891 13.5899 7.87644 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 8.41611 9.03707 11.1397 8.99891 7.87644 9.13604 numMergedOcc 0
15 mol 143 unq 1 iso 1 dist 9.03707 8.41611 11.1397 8.99891 9.13604 7.87644 numMergedOcc 0
16 mol 143 unq 2 iso 0 dist 8.41611 7.25673 10.7886 8.99891 7.87644 12.6218 numMergedOcc 0
17 mol 143 unq 2 iso 1 dist 7.25673 8.41611 10.7886 8.99891 12.6218 7.87644 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 7.63338 9.03707 11.6633 8.99891 13.5899 9.13604 numMergedOcc 0
19 mol 143 unq 1 iso 1 dist 9.03707 7.63338 11.6633 8.99891 9.13604 13.5899 numMergedOcc 0
20 mol 143 unq 2 iso 0 dist 7.63338 7.25673 6.77212 8.99891 13.5899 12.6218 numMergedOcc 0
21 mol 143 unq 2 iso 1 dist 7.25673 7.63338 6.77212 8.99891 12.6218 13.5899 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 9.03707 7.25673 6.48609 8.99891 9.13604 12.6218 numMergedOcc 0
23 mol 143 unq 2 iso 1 dist 7.25673 9.03707 6.48609 8.99891 12.6218 9.13604 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 5.4969 6.4318 5.84099 9.19156 6.41193 10.568 numMergedOcc 0
25 mol 175 unq 0 iso 1 dist 6.4318 5.4969 5.84099 9.19156 10.568 6.41193 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 5.4969 7.35824 8.63478 9.19156 6.41193 14.7729 numMergedOcc 0
27 mol 175 unq 1 iso 1 dist 7.35824 5.4969 8.63478 9.19156 14.7729 6.41193 numMergedOcc 0
28 mol 175 unq 2 iso 0 dist 5.4969 9.17364 13.3054 9.19156 6.41193 18.0583 numMergedOcc 0
29 mol 175 unq 2 iso 1 dist 9.17364 5.4969 13.3054 9.19156 18.0583 6.41193 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 6.4318 7.35824 6.77843 9.19156 10.568 14.7729 numMergedOcc 0
31 mol 175 unq 1 iso 1 dist 7.35824 6.4318 6.77843 9.19156 14.7729 10.568 numMergedOcc 0
32 mol 175 unq 2 iso 0 dist 6.4318 9.17364 10.0636 9.19156 10.568 18.0583 numMergedOcc 0
33 mol 175 unq 2 iso 1 dist 9.17364 6.4318 10.0636 9.19156 18.0583 10.568 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 7.35824 9.17364 7.07861 9.19156 14.7729 18.0583 numMergedOcc 0
35 mol 175 unq 2 iso 1 dist 9.17364 7.35824 7.07861 9.19156 18.0583 14.7729 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 8.06216 5.76954 6.73047 7.84952 9.46108 11.2216 numMergedOcc 0
37 mol 218 unq 0 iso 1 dist 5.76954 8.06216 6.73047 7.84952 11.2216 9.46108 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 8.06216 6.29511 12.255 7.84952 9.46108 5.46009 numMergedOcc 0
39 mol 218 unq 1 iso 1 dist 6.29511 8.06216 12.255 7.84952 5.46009 9.46108 numMergedOcc 0
40 mol 218 unq 1 iso 0 dist 5.76954 6.29511 11.2353 7.84952 11.2216 5.46009 numMergedOcc 0
41 mol 218 unq 1 iso 1 dist 6.29511 5.76954 11.2353 7.84952 5.46009 11.2216 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 7.52109 7.44083 5.47363 8.12739 8.96388 12.596 numMergedOcc 0
43 mol 274 unq 0 iso 1 dist 7.44083 7.52109 5.47363 8.12739 12.596 8.96388 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 7.52109 7.44083 5.47363 6.09853 6.75363 8.42538 numMergedOcc 0
45 mol 274 unq 1 iso 1 dist 7.44083 7.52109 5.47363 6.09853 8.42538 6.75363 numMergedOcc 0
46 mol 274 unq 2 iso 0 dist 9.56685 8.49922 7.56905 9.83622 8.10746 13.2205 numMergedOcc 0
47 mol 274 unq 2 iso 1 dist 8.49922 9.56685 7.56905 9.83622 13.2205 8.10746 numMergedOcc 0
