0 mol 30 unq 0 iso 0 dist 5.61656 5.03351 8.67487 10.1603 6.64571 9.85708 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 8.67487 5.03351 5.61656 9.85708 6.64571 10.1603 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.61656 5.34368 6.95343 10.1603 6.64571 9.52037 numMergedOcc 0
3 mol 30 unq 1 iso 1 dist 6.95343 5.34368 5.61656 9.52037 6.64571 10.1603 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 8.67487 6.89466 6.95343 9.85708 6.64571 9.52037 numMergedOcc 0
5 mol 30 unq 1 iso 1 dist 6.95343 6.89466 8.67487 9.52037 6.64571 9.85708 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 8.83766 5.5577 7.27268 8.94635 9.8013 11.5204 numMergedOcc 0
7 mol 30 unq 2 iso 1 dist 7.27268 5.5577 8.83766 11.5204 9.8013 8.94635 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.30559 13.5016 5.96359 5.263 9.3568 12.5878 numMergedOcc 0
9 mol 88 unq 0 iso 1 dist 5.96359 13.5016 9.30559 12.5878 9.3568 5.263 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 9.30559 11.8813 7.48974 5.263 9.3568 9.4891 numMergedOcc 0
11 mol 88 unq 1 iso 1 dist 7.48974 11.8813 9.30559 9.4891 9.3568 5.263 numMergedOcc 0
12 mol 88 unq 2 iso 0 dist 9.30559 11.6198 8.40428 5.263 9.3568 7.52174 numMergedOcc 0
13 mol 88 unq 2 iso 1 dist 8.40428 11.6198 9.30559 7.52174 9.3568 5.263 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 5.96359 4.96064 7.48974 12.5878 9.3568 9.4891 numMergedOcc 0
15 mol 88 unq 1 iso 1 dist 7.48974 4.96064 5.96359 9.4891 9.3568 12.5878 numMergedOcc 0
16 mol 88 unq 2 iso 0 dist 5.96359 8.62396 8.40428 12.5878 9.3568 7.52174 numMergedOcc 0
17 mol 88 unq 2 iso 1 dist 8.40428 8.62396 5.96359 7.52174 9.3568 12.5878 numMergedOcc 0
18 mol 88 unq 2 iso 0 dist 7.48974 5.05664 8.40428 9.4891 9.3568 7.52174 numMergedOcc 0
19 mol 88 unq 2 iso 1 dist 8.40428 5.05664 7.48974 7.52174 9.3568 9.4891 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 7.48658 9.35561 7.20279 12.2908 8.38104 11.2746 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 7.20279 9.35561 7.48658 11.2746 8.38104 12.2908 numMergedOcc 0
22 mol 178 unq 0 iso 0 dist 7.12045 5.18005 8.94945 4.49214 9.59266 3.59639 numMergedOcc 0
23 mol 178 unq 0 iso 1 dist 8.94945 5.18005 7.12045 3.59639 9.59266 4.49214 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 7.24772 6.64382 7.89803 9.90068 9.83958 9.01466 numMergedOcc 0
25 mol 183 unq 0 iso 1 dist 7.89803 6.64382 7.24772 9.01466 9.83958 9.90068 numMergedOcc 0
26 mol 183 unq 1 iso 0 dist 7.24772 7.09808 9.75243 9.90068 9.83958 3.87985 numMergedOcc 0
27 mol 183 unq 1 iso 1 dist 9.75243 7.09808 7.24772 3.87985 9.83958 9.90068 numMergedOcc 0
28 mol 183 unq 1 iso 0 dist 7.89803 8.1508 9.75243 9.01466 9.83958 3.87985 numMergedOcc 0
29 mol 183 unq 1 iso 1 dist 9.75243 8.1508 7.89803 3.87985 9.83958 9.01466 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 4.90825 7.73294 5.52084 9.56884 9.28264 4.46135 numMergedOcc 0
31 mol 206 unq 0 iso 1 dist 5.52084 7.73294 4.90825 4.46135 9.28264 9.56884 numMergedOcc 0
32 mol 213 unq 0 iso 0 dist 8.29133 5.45334 8.96646 4.67313 6.72477 7.49785 numMergedOcc 0
33 mol 213 unq 0 iso 1 dist 8.96646 5.45334 8.29133 7.49785 6.72477 4.67313 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 8.25629 12.0157 9.31373 4.46222 9.52588 14.0758 numMergedOcc 0
35 mol 225 unq 0 iso 1 dist 9.31373 12.0157 8.25629 14.0758 9.52588 4.46222 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 8.25629 12.0157 9.31373 10.5702 7.97079 17.1785 numMergedOcc 0
37 mol 225 unq 1 iso 1 dist 9.31373 12.0157 8.25629 17.1785 7.97079 10.5702 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 8.25629 12.0157 9.31373 9.70634 5.07766 14.2198 numMergedOcc 0
39 mol 225 unq 2 iso 1 dist 9.31373 12.0157 8.25629 14.2198 5.07766 9.70634 numMergedOcc 0
40 mol 225 unq 3 iso 0 dist 8.25629 16.718 9.20561 4.46222 9.52588 16.1303 numMergedOcc 0
41 mol 225 unq 3 iso 1 dist 9.20561 16.718 8.25629 16.1303 9.52588 4.46222 numMergedOcc 0
42 mol 225 unq 4 iso 0 dist 8.25629 16.718 9.20561 10.5702 7.97079 10.9201 numMergedOcc 0
43 mol 225 unq 4 iso 1 dist 9.20561 16.718 8.25629 10.9201 7.97079 10.5702 numMergedOcc 0
44 mol 225 unq 5 iso 0 dist 8.25629 16.718 9.20561 9.70634 5.07766 9.76678 numMergedOcc 0
45 mol 225 unq 5 iso 1 dist 9.20561 16.718 8.25629 9.76678 5.07766 9.70634 numMergedOcc 0
46 mol 225 unq 6 iso 0 dist 8.25629 12.5593 9.88976 4.46222 9.52588 16.2008 numMergedOcc 0
47 mol 225 unq 6 iso 1 dist 9.88976 12.5593 8.25629 16.2008 9.52588 4.46222 numMergedOcc 0
48 mol 225 unq 7 iso 0 dist 8.25629 12.5593 9.88976 10.5702 7.97079 12.9529 numMergedOcc 0
49 mol 225 unq 7 iso 1 dist 9.88976 12.5593 8.25629 12.9529 7.97079 10.5702 numMergedOcc 0
50 mol 225 unq 8 iso 0 dist 8.25629 12.5593 9.88976 9.70634 5.07766 9.72811 numMergedOcc 0
51 mol 225 unq 8 iso 1 dist 9.88976 12.5593 8.25629 9.72811 5.07766 9.70634 numMergedOcc 0
52 mol 225 unq 2 iso 0 dist 9.31373 15.3446 9.20561 14.0758 9.52588 16.1303 numMergedOcc 0
53 mol 225 unq 2 iso 1 dist 9.20561 15.3446 9.31373 16.1303 9.52588 14.0758 numMergedOcc 0
54 mol 225 unq 3 iso 0 dist 9.31373 15.3446 9.20561 17.1785 7.97079 10.9201 numMergedOcc 0
55 mol 225 unq 3 iso 1 dist 9.20561 15.3446 9.31373 10.9201 7.97079 17.1785 numMergedOcc 0
56 mol 225 unq 4 iso 0 dist 9.31373 15.3446 9.20561 14.2198 5.07766 9.76678 numMergedOcc 0
57 mol 225 unq 4 iso 1 dist 9.20561 15.3446 9.31373 9.76678 5.07766 14.2198 numMergedOcc 0
58 mol 225 unq 5 iso 0 dist 9.31373 13.3965 9.88976 14.0758 9.52588 16.2008 numMergedOcc 0
59 mol 225 unq 5 iso 1 dist 9.88976 13.3965 9.31373 16.2008 9.52588 14.0758 numMergedOcc 0
60 mol 225 unq 6 iso 0 dist 9.31373 13.3965 9.88976 17.1785 7.97079 12.9529 numMergedOcc 0
61 mol 225 unq 6 iso 1 dist 9.88976 13.3965 9.31373 12.9529 7.97079 17.1785 numMergedOcc 0
62 mol 225 unq 7 iso 0 dist 9.31373 13.3965 9.88976 14.2198 5.07766 9.72811 numMergedOcc 0
63 mol 225 unq 7 iso 1 dist 9.88976 13.3965 9.31373 9.72811 5.07766 14.2198 numMergedOcc 0
64 mol 225 unq 4 iso 0 dist 9.20561 16.5576 9.88976 16.1303 9.52588 16.2008 numMergedOcc 0
65 mol 225 unq 4 iso 1 dist 9.88976 16.5576 9.20561 16.2008 9.52588 16.1303 numMergedOcc 0
66 mol 225 unq 5 iso 0 dist 9.20561 16.5576 9.88976 10.9201 7.97079 12.9529 numMergedOcc 0
67 mol 225 unq 5 iso 1 dist 9.88976 16.5576 9.20561 12.9529 7.97079 10.9201 numMergedOcc 0
68 mol 225 unq 6 iso 0 dist 9.20561 16.5576 9.88976 9.76678 5.07766 9.72811 numMergedOcc 0
69 mol 225 unq 6 iso 1 dist 9.88976 16.5576 9.20561 9.72811 5.07766 9.76678 numMergedOcc 0
70 mol 239 unq 0 iso 0 dist 5.45139 12.7454 8.10769 4.32238 5.4353 11.6161 numMergedOcc 0
71 mol 239 unq 0 iso 1 dist 8.10769 12.7454 5.45139 11.6161 5.4353 4.32238 numMergedOcc 0
72 mol 244 unq 0 iso 0 dist 7.27258 8.32749 5.29811 6.46076 9.13546 8.49798 numMergedOcc 0
73 mol 244 unq 0 iso 1 dist 5.29811 8.32749 7.27258 8.49798 9.13546 6.46076 numMergedOcc 0
74 mol 244 unq 1 iso 0 dist 7.27258 8.32749 5.29811 12.2903 8.16952 9.62231 numMergedOcc 0
75 mol 244 unq 1 iso 1 dist 5.29811 8.32749 7.27258 9.62231 8.16952 12.2903 numMergedOcc 0
76 mol 244 unq 2 iso 0 dist 7.27258 8.32749 5.29811 11.6293 7.58413 4.06591 numMergedOcc 0
77 mol 244 unq 2 iso 1 dist 5.29811 8.32749 7.27258 4.06591 7.58413 11.6293 numMergedOcc 0
78 mol 270 unq 0 iso 0 dist 8.34847 10.6327 9.73905 6.02375 7.54529 5.67539 numMergedOcc 0
79 mol 270 unq 0 iso 1 dist 9.73905 10.6327 8.34847 5.67539 7.54529 6.02375 numMergedOcc 0
