0 mol 18 unq 0 iso 0 dist 8.81762 8.1133 10.6667 8.44727 6.75472 9.86529 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.81762 8.44727 6.75472 8.1133 10.6667 9.86529 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 5.32149 8.1133 4.59668 8.44727 5.67577 9.86529 numMergedOcc 0
3 mol 18 unq 1 iso 1 dist 5.32149 8.44727 5.67577 8.1133 4.59668 9.86529 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 7.15015 8.3224 9.67807 8.71602 4.06512 7.62116 numMergedOcc 0
5 mol 30 unq 0 iso 1 dist 7.15015 8.71602 4.06512 8.3224 9.67807 7.62116 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 7.15015 8.3224 9.67807 7.54379 6.29623 8.79591 numMergedOcc 0
7 mol 30 unq 1 iso 1 dist 7.15015 7.54379 6.29623 8.3224 9.67807 8.79591 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 7.15015 8.71602 4.06512 7.54379 6.29623 5.02289 numMergedOcc 0
9 mol 30 unq 1 iso 1 dist 7.15015 7.54379 6.29623 8.71602 4.06512 5.02289 numMergedOcc 0
10 mol 30 unq 2 iso 0 dist 3.68549 8.3224 6.54878 8.71602 5.62773 7.62116 numMergedOcc 0
11 mol 30 unq 2 iso 1 dist 3.68549 8.71602 5.62773 8.3224 6.54878 7.62116 numMergedOcc 0
12 mol 30 unq 3 iso 0 dist 3.68549 8.3224 6.54878 7.54379 4.20285 8.79591 numMergedOcc 0
13 mol 30 unq 3 iso 1 dist 3.68549 7.54379 4.20285 8.3224 6.54878 8.79591 numMergedOcc 0
14 mol 30 unq 3 iso 0 dist 3.68549 8.71602 5.62773 7.54379 4.20285 5.02289 numMergedOcc 0
15 mol 30 unq 3 iso 1 dist 3.68549 7.54379 4.20285 8.71602 5.62773 5.02289 numMergedOcc 0
16 mol 34 unq 0 iso 0 dist 8.36524 5.39587 4.55481 6.47252 13.4762 11.6209 numMergedOcc 0
17 mol 34 unq 0 iso 1 dist 8.36524 6.47252 13.4762 5.39587 4.55481 11.6209 numMergedOcc 0
18 mol 70 unq 0 iso 0 dist 6.77833 8.63204 12.7012 5.4014 8.20805 4.97731 numMergedOcc 0
19 mol 70 unq 0 iso 1 dist 6.77833 5.4014 8.20805 8.63204 12.7012 4.97731 numMergedOcc 0
20 mol 70 unq 1 iso 0 dist 9.83265 9.19079 12.7012 8.37742 8.20805 4.97731 numMergedOcc 0
21 mol 70 unq 1 iso 1 dist 9.83265 8.37742 8.20805 9.19079 12.7012 4.97731 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 7.90775 7.84956 7.45908 8.57607 4.99174 10.3056 numMergedOcc 0
23 mol 95 unq 0 iso 1 dist 7.90775 8.57607 4.99174 7.84956 7.45908 10.3056 numMergedOcc 0
24 mol 95 unq 1 iso 0 dist 7.90775 7.84956 7.45908 6.1991 4.46005 9.77913 numMergedOcc 0
25 mol 95 unq 1 iso 1 dist 7.90775 6.1991 4.46005 7.84956 7.45908 9.77913 numMergedOcc 0
26 mol 95 unq 2 iso 0 dist 7.90775 7.84956 7.45908 5.96246 8.28518 7.51315 numMergedOcc 0
27 mol 95 unq 2 iso 1 dist 7.90775 5.96246 8.28518 7.84956 7.45908 7.51315 numMergedOcc 0
28 mol 95 unq 1 iso 0 dist 7.90775 8.57607 4.99174 6.1991 4.46005 6.27231 numMergedOcc 0
29 mol 95 unq 1 iso 1 dist 7.90775 6.1991 4.46005 8.57607 4.99174 6.27231 numMergedOcc 0
30 mol 95 unq 2 iso 0 dist 7.90775 8.57607 4.99174 5.96246 8.28518 11.734 numMergedOcc 0
31 mol 95 unq 2 iso 1 dist 7.90775 5.96246 8.28518 8.57607 4.99174 11.734 numMergedOcc 0
32 mol 95 unq 2 iso 0 dist 7.90775 6.1991 4.46005 5.96246 8.28518 6.95874 numMergedOcc 0
33 mol 95 unq 2 iso 1 dist 7.90775 5.96246 8.28518 6.1991 4.46005 6.95874 numMergedOcc 0
34 mol 95 unq 3 iso 0 dist 8.49531 7.84956 10.2496 8.57607 16.6518 10.3056 numMergedOcc 0
35 mol 95 unq 3 iso 1 dist 8.49531 8.57607 16.6518 7.84956 10.2496 10.3056 numMergedOcc 0
36 mol 95 unq 4 iso 0 dist 8.49531 7.84956 10.2496 6.1991 13.1525 9.77913 numMergedOcc 0
37 mol 95 unq 4 iso 1 dist 8.49531 6.1991 13.1525 7.84956 10.2496 9.77913 numMergedOcc 0
38 mol 95 unq 5 iso 0 dist 8.49531 7.84956 10.2496 5.96246 7.26851 7.51315 numMergedOcc 0
39 mol 95 unq 5 iso 1 dist 8.49531 5.96246 7.26851 7.84956 10.2496 7.51315 numMergedOcc 0
40 mol 95 unq 4 iso 0 dist 8.49531 8.57607 16.6518 6.1991 13.1525 6.27231 numMergedOcc 0
41 mol 95 unq 4 iso 1 dist 8.49531 6.1991 13.1525 8.57607 16.6518 6.27231 numMergedOcc 0
42 mol 95 unq 5 iso 0 dist 8.49531 8.57607 16.6518 5.96246 7.26851 11.734 numMergedOcc 0
43 mol 95 unq 5 iso 1 dist 8.49531 5.96246 7.26851 8.57607 16.6518 11.734 numMergedOcc 0
44 mol 95 unq 5 iso 0 dist 8.49531 6.1991 13.1525 5.96246 7.26851 6.95874 numMergedOcc 0
45 mol 95 unq 5 iso 1 dist 8.49531 5.96246 7.26851 6.1991 13.1525 6.95874 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 9.42271 7.76446 15.9138 6.14652 12.3479 5.83782 numMergedOcc 0
47 mol 134 unq 0 iso 1 dist 9.42271 6.14652 12.3479 7.76446 15.9138 5.83782 numMergedOcc 0
48 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 9.83462 4.84714 3.55572 numMergedOcc 0
49 mol 152 unq 0 iso 1 dist 8.34839 9.83462 4.84714 9.4275 5.39112 3.55572 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 6.0639 9.16579 7.38602 8.95209 11.6282 9.58899 numMergedOcc 0
51 mol 186 unq 0 iso 1 dist 6.0639 8.95209 11.6282 9.16579 7.38602 9.58899 numMergedOcc 0
52 mol 186 unq 1 iso 0 dist 6.91355 9.16579 4.26355 8.95209 10.5033 9.58899 numMergedOcc 0
53 mol 186 unq 1 iso 1 dist 6.91355 8.95209 10.5033 9.16579 4.26355 9.58899 numMergedOcc 0
54 mol 188 unq 0 iso 0 dist 8.67271 7.03264 10.0989 6.32826 6.47015 3.68927 numMergedOcc 0
55 mol 188 unq 0 iso 1 dist 8.67271 6.32826 6.47015 7.03264 10.0989 3.68927 numMergedOcc 0
56 mol 205 unq 0 iso 0 dist 9.25882 9.71147 6.95738 6.32553 3.56269 8.01847 numMergedOcc 0
57 mol 205 unq 0 iso 1 dist 9.25882 6.32553 3.56269 9.71147 6.95738 8.01847 numMergedOcc 0
58 mol 217 unq 0 iso 0 dist 7.58097 9.41353 13.1665 8.28155 13.7271 6.12994 numMergedOcc 0
59 mol 217 unq 0 iso 1 dist 7.58097 8.28155 13.7271 9.41353 13.1665 6.12994 numMergedOcc 0
60 mol 229 unq 0 iso 0 dist 6.32302 9.90415 5.70473 6.92268 4.17276 9.01727 numMergedOcc 0
61 mol 229 unq 0 iso 1 dist 6.32302 6.92268 4.17276 9.90415 5.70473 9.01727 numMergedOcc 0
62 mol 229 unq 1 iso 0 dist 6.88694 9.90415 7.22525 6.92268 4.92403 9.01727 numMergedOcc 0
63 mol 229 unq 1 iso 1 dist 6.88694 6.92268 4.92403 9.90415 7.22525 9.01727 numMergedOcc 0
