0 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 9.90117 10.2796 5.38328 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.0166 9.90117 10.2796 9.32945 5.63739 5.38328 numMergedOcc 0
2 mol 7 unq 0 iso 2 dist 9.32945 8.0166 5.63739 9.90117 5.38328 10.2796 numMergedOcc 0
3 mol 7 unq 0 iso 3 dist 9.32945 9.90117 5.38328 8.0166 5.63739 10.2796 numMergedOcc 0
4 mol 7 unq 0 iso 4 dist 9.90117 8.0166 10.2796 9.32945 5.38328 5.63739 numMergedOcc 0
5 mol 7 unq 0 iso 5 dist 9.90117 9.32945 5.38328 8.0166 10.2796 5.63739 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 8.60363 5.05066 4.4628 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 5.39171 8.60363 5.05066 9.27355 5.47475 4.4628 numMergedOcc 0
8 mol 73 unq 0 iso 2 dist 9.27355 5.39171 5.47475 8.60363 4.4628 5.05066 numMergedOcc 0
9 mol 73 unq 0 iso 3 dist 9.27355 8.60363 4.4628 5.39171 5.47475 5.05066 numMergedOcc 0
10 mol 73 unq 0 iso 4 dist 8.60363 5.39171 5.05066 9.27355 4.4628 5.47475 numMergedOcc 0
11 mol 73 unq 0 iso 5 dist 8.60363 9.27355 4.4628 5.39171 5.05066 5.47475 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.56884 8.67865 14.4981 8.40148 7.79762 10.1168 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 9.56884 8.40148 7.79762 8.67865 14.4981 10.1168 numMergedOcc 0
14 mol 92 unq 0 iso 2 dist 8.67865 9.56884 14.4981 8.40148 10.1168 7.79762 numMergedOcc 0
15 mol 92 unq 0 iso 3 dist 8.67865 8.40148 10.1168 9.56884 14.4981 7.79762 numMergedOcc 0
16 mol 92 unq 0 iso 4 dist 8.40148 9.56884 7.79762 8.67865 10.1168 14.4981 numMergedOcc 0
17 mol 92 unq 0 iso 5 dist 8.40148 8.67865 10.1168 9.56884 7.79762 14.4981 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 8.50054 7.47653 5.90718 8.97124 8.99904 4.80422 numMergedOcc 0
19 mol 130 unq 0 iso 1 dist 8.50054 8.97124 8.99904 7.47653 5.90718 4.80422 numMergedOcc 0
20 mol 130 unq 0 iso 2 dist 7.47653 8.50054 5.90718 8.97124 4.80422 8.99904 numMergedOcc 0
21 mol 130 unq 0 iso 3 dist 7.47653 8.97124 4.80422 8.50054 5.90718 8.99904 numMergedOcc 0
22 mol 130 unq 0 iso 4 dist 8.97124 8.50054 8.99904 7.47653 4.80422 5.90718 numMergedOcc 0
23 mol 130 unq 0 iso 5 dist 8.97124 7.47653 4.80422 8.50054 8.99904 5.90718 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.6609 6.21546 6.77498 6.03184 12.0951 7.01839 numMergedOcc 0
25 mol 175 unq 0 iso 1 dist 8.6609 6.03184 12.0951 6.21546 6.77498 7.01839 numMergedOcc 0
26 mol 175 unq 0 iso 2 dist 6.21546 8.6609 6.77498 6.03184 7.01839 12.0951 numMergedOcc 0
27 mol 175 unq 0 iso 3 dist 6.21546 6.03184 7.01839 8.6609 6.77498 12.0951 numMergedOcc 0
28 mol 175 unq 0 iso 4 dist 6.03184 8.6609 12.0951 6.21546 7.01839 6.77498 numMergedOcc 0
29 mol 175 unq 0 iso 5 dist 6.03184 6.21546 7.01839 8.6609 12.0951 6.77498 numMergedOcc 0
30 mol 223 unq 0 iso 0 dist 9.29204 9.14789 4.44825 7.80764 16.0208 16.2327 numMergedOcc 0
31 mol 223 unq 0 iso 1 dist 9.29204 7.80764 16.0208 9.14789 4.44825 16.2327 numMergedOcc 0
32 mol 223 unq 0 iso 2 dist 9.14789 9.29204 4.44825 7.80764 16.2327 16.0208 numMergedOcc 0
33 mol 223 unq 0 iso 3 dist 9.14789 7.80764 16.2327 9.29204 4.44825 16.0208 numMergedOcc 0
34 mol 223 unq 0 iso 4 dist 7.80764 9.29204 16.0208 9.14789 16.2327 4.44825 numMergedOcc 0
35 mol 223 unq 0 iso 5 dist 7.80764 9.14789 16.2327 9.29204 16.0208 4.44825 numMergedOcc 0
36 mol 223 unq 1 iso 0 dist 9.29204 9.14789 4.44825 5.75896 11.898 13.5741 numMergedOcc 0
37 mol 223 unq 1 iso 1 dist 9.29204 5.75896 11.898 9.14789 4.44825 13.5741 numMergedOcc 0
38 mol 223 unq 1 iso 2 dist 9.14789 9.29204 4.44825 5.75896 13.5741 11.898 numMergedOcc 0
39 mol 223 unq 1 iso 3 dist 9.14789 5.75896 13.5741 9.29204 4.44825 11.898 numMergedOcc 0
40 mol 223 unq 1 iso 4 dist 5.75896 9.29204 11.898 9.14789 13.5741 4.44825 numMergedOcc 0
41 mol 223 unq 1 iso 5 dist 5.75896 9.14789 13.5741 9.29204 11.898 4.44825 numMergedOcc 0
42 mol 223 unq 1 iso 0 dist 9.29204 7.80764 16.0208 5.75896 11.898 7.12929 numMergedOcc 0
43 mol 223 unq 1 iso 1 dist 9.29204 5.75896 11.898 7.80764 16.0208 7.12929 numMergedOcc 0
44 mol 223 unq 1 iso 2 dist 7.80764 9.29204 16.0208 5.75896 7.12929 11.898 numMergedOcc 0
45 mol 223 unq 1 iso 3 dist 7.80764 5.75896 7.12929 9.29204 16.0208 11.898 numMergedOcc 0
46 mol 223 unq 1 iso 4 dist 5.75896 9.29204 11.898 7.80764 7.12929 16.0208 numMergedOcc 0
47 mol 223 unq 1 iso 5 dist 5.75896 7.80764 7.12929 9.29204 11.898 16.0208 numMergedOcc 0
48 mol 223 unq 1 iso 0 dist 9.14789 7.80764 16.2327 5.75896 13.5741 7.12929 numMergedOcc 0
49 mol 223 unq 1 iso 1 dist 9.14789 5.75896 13.5741 7.80764 16.2327 7.12929 numMergedOcc 0
50 mol 223 unq 1 iso 2 dist 7.80764 9.14789 16.2327 5.75896 7.12929 13.5741 numMergedOcc 0
51 mol 223 unq 1 iso 3 dist 7.80764 5.75896 7.12929 9.14789 16.2327 13.5741 numMergedOcc 0
52 mol 223 unq 1 iso 4 dist 5.75896 9.14789 13.5741 7.80764 7.12929 16.2327 numMergedOcc 0
53 mol 223 unq 1 iso 5 dist 5.75896 7.80764 7.12929 9.14789 13.5741 16.2327 numMergedOcc 0
54 mol 245 unq 0 iso 0 dist 7.26913 6.41862 10.9806 8.69377 12.3319 6.22658 numMergedOcc 0
55 mol 245 unq 0 iso 1 dist 7.26913 8.69377 12.3319 6.41862 10.9806 6.22658 numMergedOcc 0
56 mol 245 unq 0 iso 2 dist 6.41862 7.26913 10.9806 8.69377 6.22658 12.3319 numMergedOcc 0
57 mol 245 unq 0 iso 3 dist 6.41862 8.69377 6.22658 7.26913 10.9806 12.3319 numMergedOcc 0
58 mol 245 unq 0 iso 4 dist 8.69377 7.26913 12.3319 6.41862 6.22658 10.9806 numMergedOcc 0
59 mol 245 unq 0 iso 5 dist 8.69377 6.41862 6.22658 7.26913 12.3319 10.9806 numMergedOcc 0
60 mol 250 unq 0 iso 0 dist 8.38141 5.08366 5.01048 8.18086 12.269 9.8248 numMergedOcc 0
61 mol 250 unq 0 iso 1 dist 8.38141 8.18086 12.269 5.08366 5.01048 9.8248 numMergedOcc 0
62 mol 250 unq 0 iso 2 dist 5.08366 8.38141 5.01048 8.18086 9.8248 12.269 numMergedOcc 0
63 mol 250 unq 0 iso 3 dist 5.08366 8.18086 9.8248 8.38141 5.01048 12.269 numMergedOcc 0
64 mol 250 unq 0 iso 4 dist 8.18086 8.38141 12.269 5.08366 9.8248 5.01048 numMergedOcc 0
65 mol 250 unq 0 iso 5 dist 8.18086 5.08366 9.8248 8.38141 12.269 5.01048 numMergedOcc 0
66 mol 265 unq 0 iso 0 dist 9.56472 6.5072 10.1588 4.03921 13.1954 7.82127 numMergedOcc 0
67 mol 265 unq 0 iso 1 dist 9.56472 4.03921 13.1954 6.5072 10.1588 7.82127 numMergedOcc 0
68 mol 265 unq 0 iso 2 dist 6.5072 9.56472 10.1588 4.03921 7.82127 13.1954 numMergedOcc 0
69 mol 265 unq 0 iso 3 dist 6.5072 4.03921 7.82127 9.56472 10.1588 13.1954 numMergedOcc 0
70 mol 265 unq 0 iso 4 dist 4.03921 9.56472 13.1954 6.5072 7.82127 10.1588 numMergedOcc 0
71 mol 265 unq 0 iso 5 dist 4.03921 6.5072 7.82127 9.56472 13.1954 10.1588 numMergedOcc 0
72 mol 279 unq 0 iso 0 dist 7.319 6.12742 10.8005 9.45886 12.8532 5.48262 numMergedOcc 0
73 mol 279 unq 0 iso 1 dist 7.319 9.45886 12.8532 6.12742 10.8005 5.48262 numMergedOcc 0
74 mol 279 unq 0 iso 2 dist 6.12742 7.319 10.8005 9.45886 5.48262 12.8532 numMergedOcc 0
75 mol 279 unq 0 iso 3 dist 6.12742 9.45886 5.48262 7.319 10.8005 12.8532 numMergedOcc 0
76 mol 279 unq 0 iso 4 dist 9.45886 7.319 12.8532 6.12742 5.48262 10.8005 numMergedOcc 0
77 mol 279 unq 0 iso 5 dist 9.45886 6.12742 5.48262 7.319 12.8532 10.8005 numMergedOcc 0
78 mol 285 unq 0 iso 0 dist 8.70702 9.43706 14.1636 9.3482 14.0317 16.6298 numMergedOcc 0
79 mol 285 unq 0 iso 1 dist 8.70702 9.3482 14.0317 9.43706 14.1636 16.6298 numMergedOcc 0
80 mol 285 unq 0 iso 2 dist 9.43706 8.70702 14.1636 9.3482 16.6298 14.0317 numMergedOcc 0
81 mol 285 unq 0 iso 3 dist 9.43706 9.3482 16.6298 8.70702 14.1636 14.0317 numMergedOcc 0
82 mol 285 unq 0 iso 4 dist 9.3482 8.70702 14.0317 9.43706 16.6298 14.1636 numMergedOcc 0
83 mol 285 unq 0 iso 5 dist 9.3482 9.43706 16.6298 8.70702 14.0317 14.1636 numMergedOcc 0
