0 mol 1 unq 0 iso 0 dist 9.40282 9.35554 13.3466 7.48521 6.86701 10.8992 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 7.37356 9.2978 10.1903 6.82841 5.65084 9.45949 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 8.90024 5.06502 6.59001 6.66407 10.0168 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 6.78532 5.89973 6.59001 6.66407 10.9975 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.27307 6.92837 8.99811 5.29207 5.99857 6.9362 numMergedOcc 0
5 mol 69 unq 1 iso 0 dist 6.92837 8.27307 8.99811 5.29207 6.9362 5.99857 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 5.48831 9.39178 5.82403 10.6185 9.55118 15.0406 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 5.48831 9.39178 5.82403 4.89334 9.10345 14.0306 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 8.85873 7.3606 6.88931 10.8883 5.51831 10.9748 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 7.4389 7.24527 4.98336 10.405 7.07971 11.8087 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 8.86938 7.42474 14.5975 9.50897 8.47988 16.8523 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 8.86938 7.42474 14.5975 11.9673 8.0427 19.0564 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 7.42474 8.86938 14.5975 4.9759 9.05166 13.1243 numMergedOcc 0
13 mol 112 unq 3 iso 0 dist 7.42474 8.86938 14.5975 6.59976 5.56994 15.3113 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.00172 8.66715 8.18495 7.44092 8.77023 12.5855 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.84656 4.68975 7.11631 14.2595 9.33924 14.8469 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.84656 4.68975 7.11631 15.9796 7.93372 13.0242 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.84656 4.9155 5.00817 14.2595 9.33924 9.55584 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 8.84656 4.9155 5.00817 15.9796 7.93372 11.988 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 8.31276 5.79157 11.6064 6.67639 9.10524 12.1179 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 8.31276 5.79157 11.6064 4.72407 6.42772 9.1998 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 8.31276 5.50687 13.7309 6.67639 9.10524 9.69086 numMergedOcc 0
22 mol 134 unq 7 iso 0 dist 8.31276 5.50687 13.7309 4.72407 6.42772 8.70621 numMergedOcc 0
23 mol 134 unq 8 iso 0 dist 8.31276 7.30919 14.069 6.67639 9.10524 9.00918 numMergedOcc 0
24 mol 134 unq 9 iso 0 dist 8.31276 7.30919 14.069 4.72407 6.42772 11.8779 numMergedOcc 0
25 mol 134 unq 10 iso 0 dist 5.79157 8.31276 11.6064 4.72407 9.1998 6.42772 numMergedOcc 0
26 mol 134 unq 11 iso 0 dist 5.79157 8.31276 11.6064 7.97297 8.69531 9.70973 numMergedOcc 0
27 mol 134 unq 12 iso 0 dist 5.79157 5.50687 7.09823 4.72407 9.1998 8.70621 numMergedOcc 0
28 mol 134 unq 13 iso 0 dist 5.79157 5.50687 7.09823 7.97297 8.69531 10.3432 numMergedOcc 0
29 mol 134 unq 14 iso 0 dist 5.79157 7.30919 8.25185 4.72407 9.1998 11.8779 numMergedOcc 0
30 mol 134 unq 15 iso 0 dist 5.79157 7.30919 8.25185 7.97297 8.69531 14.7874 numMergedOcc 0
31 mol 134 unq 16 iso 0 dist 5.50687 8.31276 13.7309 4.4987 5.35237 10.6728 numMergedOcc 0
32 mol 134 unq 17 iso 0 dist 5.50687 8.31276 13.7309 4.72407 8.70621 6.42772 numMergedOcc 0
33 mol 134 unq 18 iso 0 dist 5.50687 5.79157 7.09823 4.4987 5.35237 9.71716 numMergedOcc 0
34 mol 134 unq 19 iso 0 dist 5.50687 5.79157 7.09823 4.72407 8.70621 9.1998 numMergedOcc 0
35 mol 134 unq 20 iso 0 dist 5.50687 7.30919 6.90348 4.4987 5.35237 7.99477 numMergedOcc 0
36 mol 134 unq 21 iso 0 dist 5.50687 7.30919 6.90348 4.72407 8.70621 11.8779 numMergedOcc 0
37 mol 134 unq 22 iso 0 dist 7.30919 8.31276 14.069 6.67639 9.00918 9.10524 numMergedOcc 0
38 mol 134 unq 23 iso 0 dist 7.30919 8.31276 14.069 4.4987 7.99477 10.6728 numMergedOcc 0
39 mol 134 unq 24 iso 0 dist 7.30919 5.79157 8.25185 6.67639 9.00918 12.1179 numMergedOcc 0
40 mol 134 unq 25 iso 0 dist 7.30919 5.79157 8.25185 4.4987 7.99477 9.71716 numMergedOcc 0
41 mol 134 unq 26 iso 0 dist 7.30919 5.50687 6.90348 6.67639 9.00918 9.69086 numMergedOcc 0
42 mol 134 unq 27 iso 0 dist 7.30919 5.50687 6.90348 4.4987 7.99477 5.35237 numMergedOcc 0
43 mol 139 unq 0 iso 0 dist 5.11962 9.81432 4.94129 5.21231 5.80789 10.2533 numMergedOcc 0
44 mol 154 unq 0 iso 0 dist 7.34207 6.44195 9.41666 13.1744 8.33439 15.6983 numMergedOcc 0
45 mol 197 unq 0 iso 0 dist 6.18446 9.96544 5.43601 9.66766 9.10817 6.86828 numMergedOcc 0
46 mol 197 unq 1 iso 0 dist 6.18446 9.96544 5.43601 7.69814 9.73548 15.043 numMergedOcc 0
47 mol 197 unq 2 iso 0 dist 9.96544 6.18446 5.43601 9.66766 6.86828 9.10817 numMergedOcc 0
48 mol 206 unq 0 iso 0 dist 6.22964 5.82039 7.08143 10.9033 9.21377 14.3439 numMergedOcc 0
49 mol 225 unq 0 iso 0 dist 9.93754 8.14464 16.5576 5.30128 6.50998 12.0438 numMergedOcc 0
50 mol 225 unq 1 iso 0 dist 9.93754 8.14464 16.5576 7.291 9.09424 15.0845 numMergedOcc 0
51 mol 225 unq 2 iso 0 dist 9.93754 8.14464 16.5576 15.2642 8.14831 21.7963 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 8.97461 9.39537 14.0328 17.3901 9.08509 20.0719 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 8.97461 8.89487 6.85126 17.3901 9.08509 11.9549 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 8.89487 9.39537 15.8898 12.7433 9.06592 15.1958 numMergedOcc 0
55 mol 238 unq 3 iso 0 dist 8.89487 8.97461 6.85126 12.7433 9.06592 13.3867 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 7.151 8.53324 7.69449 10.3171 9.57499 5.46926 numMergedOcc 0
57 mol 277 unq 1 iso 0 dist 7.151 7.23956 11.8268 10.3171 9.57499 8.9682 numMergedOcc 0
58 mol 277 unq 2 iso 0 dist 8.53324 7.151 7.69449 10.3171 5.46926 9.57499 numMergedOcc 0
59 mol 277 unq 3 iso 0 dist 8.53324 7.151 7.69449 10.6814 5.13913 11.4389 numMergedOcc 0
60 mol 277 unq 4 iso 0 dist 8.53324 7.23956 7.08227 10.3171 5.46926 8.9682 numMergedOcc 0
61 mol 277 unq 5 iso 0 dist 8.53324 7.23956 7.08227 10.6814 5.13913 6.92711 numMergedOcc 0
62 mol 277 unq 6 iso 0 dist 7.23956 7.151 11.8268 8.60807 9.35539 15.5554 numMergedOcc 0
63 mol 277 unq 7 iso 0 dist 7.23956 7.151 11.8268 10.3171 8.9682 9.57499 numMergedOcc 0
64 mol 277 unq 8 iso 0 dist 7.23956 7.151 11.8268 10.6814 6.92711 11.4389 numMergedOcc 0
65 mol 277 unq 9 iso 0 dist 7.23956 8.53324 7.08227 8.60807 9.35539 14.9313 numMergedOcc 0
66 mol 277 unq 10 iso 0 dist 7.23956 8.53324 7.08227 10.3171 8.9682 5.46926 numMergedOcc 0
67 mol 277 unq 11 iso 0 dist 7.23956 8.53324 7.08227 10.6814 6.92711 5.13913 numMergedOcc 0
68 mol 277 unq 12 iso 0 dist 8.33977 8.66941 7.69449 5.04761 9.57499 5.46926 numMergedOcc 0
69 mol 277 unq 13 iso 0 dist 8.66941 8.33977 7.69449 5.04761 5.46926 9.57499 numMergedOcc 0
70 mol 277 unq 14 iso 0 dist 8.66941 8.33977 7.69449 8.42957 5.13913 11.4389 numMergedOcc 0
71 mol 284 unq 0 iso 0 dist 7.43241 9.98268 17.2899 11.847 5.83329 21.5828 numMergedOcc 0
72 mol 284 unq 1 iso 0 dist 7.43241 6.83147 13.5089 11.847 5.83329 18.4692 numMergedOcc 0
