0 mol 24 unq 0 iso 0 dist 8.09311 9.05357 9.95274 4.79736 7.77964 12.1034 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.55597 7.52933 6.53015 6.47509 8.07318 11.842 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.55597 9.71956 9.19736 6.47509 8.07318 13.5069 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 6.55597 7.07751 5.78812 6.47509 8.07318 10.9998 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 6.55597 8.23761 7.36721 6.47509 8.07318 13.599 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 6.55597 9.49421 12.1732 6.47509 8.07318 10.156 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 4.79873 9.48085 12.7147 5.63212 7.44277 10.156 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 7.18022 6.24711 3.39994 4.55481 7.01952 4.58552 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 6.24711 7.18022 3.39994 4.55481 4.58552 7.01952 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.5087 6.08682 5.30471 6.41115 8.46627 9.22208 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.61588 8.72682 9.76138 5.9144 8.46627 9.94443 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 5.61588 6.45841 3.32668 5.9144 8.46627 10.7236 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 5.61588 7.83244 5.30471 5.9144 8.46627 9.22208 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 6.08682 5.5087 5.30471 6.41115 9.22208 8.46627 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 7.83244 8.72682 5.81659 5.9144 9.22208 9.94443 numMergedOcc 0
15 mol 73 unq 6 iso 0 dist 7.83244 6.45841 8.07648 5.9144 9.22208 10.7236 numMergedOcc 0
16 mol 73 unq 7 iso 0 dist 7.83244 5.61588 5.30471 5.9144 9.22208 8.46627 numMergedOcc 0
17 mol 89 unq 0 iso 0 dist 7.47974 6.53308 7.04263 10.4274 8.05579 12.9299 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 9.3948 9.74607 8.00584 13.086 8.75345 16.2444 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 5.56994 9.05166 5.11 6.09562 7.31064 11.6819 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.42082 7.69765 11.044 6.01673 7.65564 9.0534 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 9.10524 6.42772 7.62195 15.3018 8.14226 11.4619 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 7.93372 9.33924 11.4107 10.8635 8.62504 15.9693 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 8.69531 9.1998 5.83782 4.00092 8.62504 11.2397 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 5.35237 8.70621 6.05407 5.4761 5.78982 11.4619 numMergedOcc 0
25 mol 134 unq 4 iso 0 dist 9.00918 7.99477 4.87973 5.03507 8.14226 5.78982 numMergedOcc 0
26 mol 134 unq 5 iso 0 dist 7.99477 9.00918 4.87973 5.03507 5.78982 8.14226 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 5.40637 7.36975 10.1474 4.78563 9.29944 9.94557 numMergedOcc 0
28 mol 162 unq 0 iso 0 dist 7.37333 7.45998 3.77838 5.65603 9.43904 7.01095 numMergedOcc 0
29 mol 162 unq 1 iso 0 dist 7.45998 7.37333 3.77838 5.65603 7.01095 9.43904 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.01624 6.64173 11.196 5.42158 9.92831 11.0482 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 5.42158 9.92831 12.1187 numMergedOcc 0
32 mol 184 unq 0 iso 0 dist 5.96423 8.97589 5.33725 4.08775 4.61596 9.52678 numMergedOcc 0
33 mol 197 unq 0 iso 0 dist 9.10817 9.73548 16.8666 9.61454 6.69042 18.0623 numMergedOcc 0
34 mol 207 unq 0 iso 0 dist 5.12567 6.0563 6.07936 4.56899 4.76113 9.29133 numMergedOcc 0
35 mol 207 unq 1 iso 0 dist 5.12567 8.1244 10.1734 4.56899 4.76113 12.1046 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 5.56538 7.48954 3.58181 8.34852 8.14294 5.72 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 7.48954 5.56538 3.58181 8.34852 5.72 8.14294 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 8.14831 6.50998 13.7858 6.28241 6.46405 12.7232 numMergedOcc 0
39 mol 225 unq 1 iso 0 dist 8.14831 9.09424 11.2712 6.28241 6.46405 13.9849 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 8.19317 6.29377 4.8835 9.72447 6.03081 5.1874 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 8.19317 6.29377 4.8835 12.983 7.41433 9.82749 numMergedOcc 0
42 mol 235 unq 2 iso 0 dist 5.1823 5.70635 4.8835 4.21867 6.03081 5.1874 numMergedOcc 0
43 mol 235 unq 3 iso 0 dist 5.1823 5.70635 4.8835 5.88852 7.41433 9.82749 numMergedOcc 0
44 mol 235 unq 4 iso 0 dist 6.29377 8.19317 4.8835 10.3462 8.85214 9.34195 numMergedOcc 0
45 mol 235 unq 5 iso 0 dist 6.29377 8.19317 4.8835 9.72447 5.1874 6.03081 numMergedOcc 0
46 mol 235 unq 6 iso 0 dist 5.70635 5.1823 4.8835 4.5022 8.85214 9.34195 numMergedOcc 0
47 mol 235 unq 7 iso 0 dist 5.70635 5.1823 4.8835 4.21867 5.1874 6.03081 numMergedOcc 0
48 mol 243 unq 0 iso 0 dist 7.10671 8.67156 6.67199 5.71505 8.20943 12.9457 numMergedOcc 0
49 mol 251 unq 0 iso 0 dist 6.50357 7.39775 3.63976 11.5298 9.02417 12.5936 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 5.46926 5.13913 3.39114 4.40029 7.16209 4.62936 numMergedOcc 0
51 mol 277 unq 1 iso 0 dist 8.9682 9.35539 16.9644 3.97543 7.16209 13.0595 numMergedOcc 0
52 mol 277 unq 2 iso 0 dist 8.9682 6.92711 3.39114 3.97543 7.16209 4.62936 numMergedOcc 0
53 mol 277 unq 3 iso 0 dist 5.13913 5.46926 3.39114 4.40029 4.62936 7.16209 numMergedOcc 0
54 mol 277 unq 4 iso 0 dist 6.92711 9.35539 15.8851 3.97543 4.62936 13.0595 numMergedOcc 0
55 mol 277 unq 5 iso 0 dist 6.92711 8.9682 3.39114 3.97543 4.62936 7.16209 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 9.46442 7.30758 3.57128 17.5073 9.23612 11.928 numMergedOcc 0
57 mol 292 unq 1 iso 0 dist 9.46442 9.5785 11.3907 17.5073 9.23612 20.473 numMergedOcc 0
58 mol 292 unq 2 iso 0 dist 9.46442 9.76319 13.609 17.5073 9.23612 21.9374 numMergedOcc 0
59 mol 292 unq 3 iso 0 dist 9.9886 9.90967 8.10966 6.73772 7.89938 12.5251 numMergedOcc 0
