0 mol 2 unq 0 iso 0 dist 9.9335 10.8368 6.15195 6.38677 7.37296 6.80804 numMergedOcc 0
1 mol 2 unq 0 iso 1 dist 9.9335 6.38677 7.37296 10.8368 6.15195 6.80804 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 6.22303 6.80703 9.84876 5.13908 8.7041 11.2643 numMergedOcc 0
3 mol 4 unq 0 iso 1 dist 6.22303 5.13908 8.7041 6.80703 9.84876 11.2643 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 6.3453 5.64699 8.19687 7.37113 5.71901 6.23746 numMergedOcc 0
5 mol 14 unq 0 iso 1 dist 6.3453 7.37113 5.71901 5.64699 8.19687 6.23746 numMergedOcc 0
6 mol 14 unq 1 iso 0 dist 7.98958 6.97821 8.19687 4.80565 5.71901 6.23746 numMergedOcc 0
7 mol 14 unq 1 iso 1 dist 7.98958 4.80565 5.71901 6.97821 8.19687 6.23746 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 7.96502 5.25196 8.30431 6.97911 4.628 8.0979 numMergedOcc 0
9 mol 61 unq 0 iso 1 dist 7.96502 6.97911 4.628 5.25196 8.30431 8.0979 numMergedOcc 0
10 mol 69 unq 0 iso 0 dist 9.16791 15.4318 7.09393 11.6163 3.87167 3.83043 numMergedOcc 0
11 mol 69 unq 0 iso 1 dist 9.16791 11.6163 3.87167 15.4318 7.09393 3.83043 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.98532 12.3568 9.56884 5.38868 8.67865 14.4981 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 8.98532 5.38868 8.67865 12.3568 9.56884 14.4981 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 8.98532 12.3568 9.56884 5.80362 8.40148 7.79762 numMergedOcc 0
15 mol 92 unq 1 iso 1 dist 8.98532 5.80362 8.40148 12.3568 9.56884 7.79762 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 8.98532 5.38868 8.67865 5.80362 8.40148 10.1168 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 8.98532 5.80362 8.40148 5.38868 8.67865 10.1168 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 6.7095 13.457 8.63522 10.8385 5.43401 3.9342 numMergedOcc 0
19 mol 102 unq 0 iso 1 dist 6.7095 10.8385 5.43401 13.457 8.63522 3.9342 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.15949 5.67441 5.31281 10.0602 8.9922 5.67339 numMergedOcc 0
21 mol 114 unq 0 iso 1 dist 6.15949 10.0602 8.9922 5.67441 5.31281 5.67339 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 7.03253 6.37593 8.50054 6.87055 7.47653 5.90718 numMergedOcc 0
23 mol 130 unq 0 iso 1 dist 7.03253 6.87055 7.47653 6.37593 8.50054 5.90718 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 7.03253 6.37593 8.50054 6.09126 8.97124 8.99904 numMergedOcc 0
25 mol 130 unq 1 iso 1 dist 7.03253 6.09126 8.97124 6.37593 8.50054 8.99904 numMergedOcc 0
26 mol 130 unq 1 iso 0 dist 7.03253 6.87055 7.47653 6.09126 8.97124 4.80422 numMergedOcc 0
27 mol 130 unq 1 iso 1 dist 7.03253 6.09126 8.97124 6.87055 7.47653 4.80422 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 7.47105 5.33627 5.12189 10.6706 7.50126 11.0817 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 7.47105 10.6706 7.50126 5.33627 5.12189 11.0817 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 9.3355 5.50567 6.25455 6.1397 8.14441 5.82281 numMergedOcc 0
31 mol 178 unq 0 iso 1 dist 9.3355 6.1397 8.14441 5.50567 6.25455 5.82281 numMergedOcc 0
32 mol 199 unq 0 iso 0 dist 7.22303 5.56055 9.88917 10.5991 9.56785 10.3162 numMergedOcc 0
33 mol 199 unq 0 iso 1 dist 7.22303 10.5991 9.56785 5.56055 9.88917 10.3162 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 9.37257 6.1198 9.085 5.8741 9.68829 9.21051 numMergedOcc 0
35 mol 205 unq 0 iso 1 dist 9.37257 5.8741 9.68829 6.1198 9.085 9.21051 numMergedOcc 0
36 mol 245 unq 0 iso 0 dist 8.03294 6.5213 7.26913 13.9182 6.41862 10.9806 numMergedOcc 0
37 mol 245 unq 0 iso 1 dist 8.03294 13.9182 6.41862 6.5213 7.26913 10.9806 numMergedOcc 0
38 mol 245 unq 1 iso 0 dist 8.03294 6.5213 7.26913 13.8285 8.69377 12.3319 numMergedOcc 0
39 mol 245 unq 1 iso 1 dist 8.03294 13.8285 8.69377 6.5213 7.26913 12.3319 numMergedOcc 0
40 mol 245 unq 1 iso 0 dist 8.03294 13.9182 6.41862 13.8285 8.69377 6.22658 numMergedOcc 0
41 mol 245 unq 1 iso 1 dist 8.03294 13.8285 8.69377 13.9182 6.41862 6.22658 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 7.72433 10.8867 9.63694 7.8329 6.58277 15.3443 numMergedOcc 0
43 mol 266 unq 0 iso 1 dist 7.72433 7.8329 6.58277 10.8867 9.63694 15.3443 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 9.46926 11.7148 8.61786 7.8329 8.42706 11.4983 numMergedOcc 0
45 mol 266 unq 1 iso 1 dist 9.46926 7.8329 8.42706 11.7148 8.61786 11.4983 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 6.85288 11.71 9.98985 10.2918 7.22295 8.47795 numMergedOcc 0
47 mol 279 unq 0 iso 1 dist 6.85288 10.2918 7.22295 11.71 9.98985 8.47795 numMergedOcc 0
48 mol 280 unq 0 iso 0 dist 8.64546 12.2581 8.57733 16.0615 9.05509 6.17591 numMergedOcc 0
49 mol 280 unq 0 iso 1 dist 8.64546 16.0615 9.05509 12.2581 8.57733 6.17591 numMergedOcc 0
50 mol 280 unq 1 iso 0 dist 3.97964 8.4621 8.57733 10.5502 9.05509 6.17591 numMergedOcc 0
51 mol 280 unq 1 iso 1 dist 3.97964 10.5502 9.05509 8.4621 8.57733 6.17591 numMergedOcc 0
52 mol 284 unq 0 iso 0 dist 9.70969 9.73593 9.1882 10.1709 8.60951 7.36026 numMergedOcc 0
53 mol 284 unq 0 iso 1 dist 9.70969 10.1709 8.60951 9.73593 9.1882 7.36026 numMergedOcc 0
54 mol 285 unq 0 iso 0 dist 8.17214 14.6688 8.63954 8.64319 4.74716 6.55738 numMergedOcc 0
55 mol 285 unq 0 iso 1 dist 8.17214 8.64319 4.74716 14.6688 8.63954 6.55738 numMergedOcc 0
