0 mol 7 unq 0 iso 0 dist 9.20552 10.4548 5.99459 11.1443 12.2041 9.67164 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 16.0229 9.48085 13.2682 10.9391 9.49421 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 6.69301 9.22598 12.4928 4.81926 8.96727 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.27156 7.751 6.9103 12.0244 8.62608 9.69044 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.9651 4.60844 9.8703 10.8777 14.224 7.39665 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.27307 5.29207 5.99857 6.92837 8.99811 6.9362 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 6.92837 5.29207 6.9362 8.27307 8.99811 5.99857 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.43143 12.6194 7.12321 14.5784 5.36766 9.74228 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.43143 12.6194 7.12321 16.5383 8.24309 6.21799 numMergedOcc 0
9 mol 89 unq 0 iso 0 dist 8.56124 4.20641 7.47974 11.5742 9.1532 8.40422 numMergedOcc 0
10 mol 89 unq 1 iso 0 dist 8.56124 4.20641 7.47974 11.1702 4.8812 8.40425 numMergedOcc 0
11 mol 89 unq 2 iso 0 dist 8.56124 4.20641 7.47974 9.61 10.4087 5.51831 numMergedOcc 0
12 mol 89 unq 3 iso 0 dist 8.56124 4.20641 7.47974 13.7828 10.8948 9.65149 numMergedOcc 0
13 mol 89 unq 4 iso 0 dist 8.85873 10.8883 5.51831 15.2525 6.50464 8.40422 numMergedOcc 0
14 mol 89 unq 5 iso 0 dist 8.85873 10.8883 5.51831 15.6243 8.46794 8.40425 numMergedOcc 0
15 mol 89 unq 6 iso 0 dist 8.85873 10.8883 5.51831 16.2093 10.4087 7.47974 numMergedOcc 0
16 mol 89 unq 7 iso 0 dist 8.85873 10.8883 5.51831 11.2696 5.45013 9.65149 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 6.86713 12.4753 8.27883 13.3871 6.59884 7.7152 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.61812 17.5707 9.21662 19.6188 10.8375 8.91882 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 7.85583 10.864 8.47988 12.6172 4.8896 9.02706 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 7.85583 9.95307 8.0427 12.6172 4.8896 9.39168 numMergedOcc 0
21 mol 112 unq 2 iso 0 dist 8.86938 9.50897 8.47988 12.679 4.8896 9.02706 numMergedOcc 0
22 mol 112 unq 3 iso 0 dist 8.86938 11.9673 8.0427 12.679 4.8896 9.39168 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.84656 15.9796 7.93372 14.0056 10.7144 9.66543 numMergedOcc 0
24 mol 134 unq 1 iso 0 dist 8.84656 15.9796 7.93372 10.9216 5.49782 7.21868 numMergedOcc 0
25 mol 134 unq 2 iso 0 dist 8.31276 6.67639 9.10524 7.30919 14.069 9.00918 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 8.31276 4.72407 6.42772 5.79157 11.6064 9.1998 numMergedOcc 0
27 mol 134 unq 4 iso 0 dist 8.31276 4.72407 6.42772 5.50687 13.7309 8.70621 numMergedOcc 0
28 mol 134 unq 5 iso 0 dist 5.79157 4.72407 9.1998 8.31276 11.6064 6.42772 numMergedOcc 0
29 mol 134 unq 6 iso 0 dist 5.79157 4.72407 9.1998 5.50687 7.09823 8.70621 numMergedOcc 0
30 mol 134 unq 7 iso 0 dist 5.79157 7.97297 8.69531 9.87619 6.81259 9.33094 numMergedOcc 0
31 mol 134 unq 8 iso 0 dist 5.50687 4.4987 5.35237 7.30919 6.90348 7.99477 numMergedOcc 0
32 mol 134 unq 9 iso 0 dist 5.50687 4.72407 8.70621 8.31276 13.7309 6.42772 numMergedOcc 0
33 mol 134 unq 10 iso 0 dist 5.50687 4.72407 8.70621 5.79157 7.09823 9.1998 numMergedOcc 0
34 mol 134 unq 11 iso 0 dist 8.94541 8.17498 9.00918 15.8408 14.069 9.10524 numMergedOcc 0
35 mol 134 unq 12 iso 0 dist 8.94541 10.9758 7.99477 13.6391 6.90348 5.35237 numMergedOcc 0
36 mol 134 unq 13 iso 0 dist 7.30919 6.67639 9.00918 8.31276 14.069 9.10524 numMergedOcc 0
37 mol 134 unq 14 iso 0 dist 7.30919 4.4987 7.99477 5.50687 6.90348 5.35237 numMergedOcc 0
38 mol 142 unq 0 iso 0 dist 8.86346 13.5413 7.81207 13.95 5.32922 6.14151 numMergedOcc 0
39 mol 142 unq 1 iso 0 dist 4.93681 9.85239 7.81207 9.86383 5.32922 6.14151 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 6.09874 5.43915 8.59874 9.75336 6.01247 9.76212 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 8.77347 8.69152 6.61112 15.2469 7.09479 8.90571 numMergedOcc 0
42 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 9.96544 5.43601 6.86828 numMergedOcc 0
43 mol 197 unq 1 iso 0 dist 9.96544 9.66766 6.86828 6.18446 5.43601 9.10817 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 9.79816 15.4347 7.33709 12.5084 4.72474 8.75536 numMergedOcc 0
45 mol 218 unq 1 iso 0 dist 9.79816 15.4347 7.33709 15.3307 5.61978 6.67404 numMergedOcc 0
46 mol 225 unq 0 iso 0 dist 9.93754 5.30128 6.50998 11.4745 13.3965 8.1945 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 8.97461 17.3901 9.08509 19.014 10.1813 6.99888 numMergedOcc 0
48 mol 257 unq 0 iso 0 dist 6.26533 4.45177 6.34915 9.67549 5.74182 7.81897 numMergedOcc 0
49 mol 264 unq 0 iso 0 dist 8.85887 12.6528 9.58916 13.3833 8.96144 5.90924 numMergedOcc 0
50 mol 264 unq 1 iso 0 dist 8.85887 12.6528 9.58916 17.9702 14.3597 5.90058 numMergedOcc 0
51 mol 264 unq 2 iso 0 dist 6.65233 6.04707 8.29262 10.3349 4.92077 9.19754 numMergedOcc 0
52 mol 267 unq 0 iso 0 dist 7.94474 10.6273 8.8293 11.3997 5.91646 7.34981 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 7.151 10.3171 9.57499 8.53324 7.69449 5.46926 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 7.151 10.3171 9.57499 7.23956 11.8268 8.9682 numMergedOcc 0
55 mol 277 unq 2 iso 0 dist 8.53324 10.3171 5.46926 7.151 7.69449 9.57499 numMergedOcc 0
56 mol 277 unq 3 iso 0 dist 8.53324 10.3171 5.46926 7.23956 7.08227 8.9682 numMergedOcc 0
57 mol 277 unq 4 iso 0 dist 8.53324 10.6814 5.13913 7.23956 7.08227 6.92711 numMergedOcc 0
58 mol 277 unq 5 iso 0 dist 7.23956 10.3171 8.9682 7.151 11.8268 9.57499 numMergedOcc 0
59 mol 277 unq 6 iso 0 dist 7.23956 10.3171 8.9682 8.53324 7.08227 5.46926 numMergedOcc 0
60 mol 277 unq 7 iso 0 dist 7.23956 10.6814 6.92711 8.53324 7.08227 5.13913 numMergedOcc 0
61 mol 277 unq 8 iso 0 dist 8.33977 5.04761 9.57499 8.66941 7.69449 5.46926 numMergedOcc 0
62 mol 277 unq 9 iso 0 dist 8.33977 5.04761 9.57499 12.8481 11.8268 8.9682 numMergedOcc 0
63 mol 277 unq 10 iso 0 dist 8.66941 5.04761 5.46926 8.33977 7.69449 9.57499 numMergedOcc 0
64 mol 277 unq 11 iso 0 dist 8.66941 5.04761 5.46926 12.8481 7.08227 8.9682 numMergedOcc 0
65 mol 277 unq 12 iso 0 dist 8.66941 8.42957 5.13913 12.8481 7.08227 6.92711 numMergedOcc 0
