0 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 7.97369 6.66589 6.56189 9.6245 7.88748 4.10578 4.90612 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.67981 3.6405 9.04027 7.97369 6.66589 6.22773 9.6245 7.88748 6.87439 4.90612 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 16.4344 8.64208 13.0612 3.77705 6.44825 11.2455 13.625 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.34804 10.7182 8.27009 11.9474 7.9572 10.6864 3.77705 6.44825 11.2455 9.25732 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 8.34804 5.66613 5.80736 16.4344 8.64208 11.8891 3.77705 6.44825 3.83735 13.625 numMergedOcc 0
5 mol 67 unq 3 iso 0 dist 8.34804 5.66613 5.80736 11.9474 7.9572 6.3173 3.77705 6.44825 3.83735 9.25732 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.39608 3.91691 8.92529 4.93292 8.21553 6.10737 10.3685 7.50921 7.78799 10.9021 numMergedOcc 0
7 mol 71 unq 1 iso 0 dist 8.39608 3.91691 8.92529 9.16746 8.22762 6.78097 10.3685 7.50921 7.78799 5.93189 numMergedOcc 0
8 mol 71 unq 2 iso 0 dist 7.28815 10.1018 8.92529 6.53623 8.21553 6.10737 9.85206 7.50921 7.78799 10.9021 numMergedOcc 0
9 mol 71 unq 3 iso 0 dist 7.28815 10.1018 8.92529 5.67157 8.22762 6.78097 9.85206 7.50921 7.78799 5.93189 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.60268 9.78459 9.11481 6.51864 8.8573 5.06947 5.4035 7.337 4.66376 4.16504 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.79954 9.70858 9.11481 5.14137 8.8573 5.06947 6.46155 7.337 4.66376 4.16504 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 6.20851 5.93953 6.19457 9.22906 6.01711 6.89436 9.12839 9.67711 10.9652 7.5383 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 15.5892 7.30244 12.2765 5.06821 8.63649 4.4227 14.9028 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 8.55805 4.74145 6.39087 15.0704 7.29796 13.2427 5.06821 8.63649 4.4227 14.1071 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 9.07364 9.67877 13.3533 11.5766 9.6327 8.78474 6.95359 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 9.17911 15.4705 8.10903 17.1229 8.81059 5.90131 11.5766 9.6327 8.78474 13.987 numMergedOcc 0
17 mol 258 unq 2 iso 0 dist 9.17911 15.4705 8.10903 15.539 9.12006 9.68064 11.5766 9.6327 8.78474 15.8856 numMergedOcc 0
18 mol 258 unq 3 iso 0 dist 9.17911 13.8539 7.25618 9.07364 9.67877 15.0574 11.5766 9.6327 11.3267 6.95359 numMergedOcc 0
19 mol 258 unq 4 iso 0 dist 9.17911 13.8539 7.25618 17.1229 8.81059 4.51422 11.5766 9.6327 11.3267 13.987 numMergedOcc 0
20 mol 258 unq 5 iso 0 dist 9.17911 13.8539 7.25618 15.539 9.12006 4.99997 11.5766 9.6327 11.3267 15.8856 numMergedOcc 0
21 mol 258 unq 6 iso 0 dist 9.46746 3.74614 9.48772 9.05496 8.55181 5.84297 9.21014 9.81589 9.73819 10.9591 numMergedOcc 0
22 mol 258 unq 7 iso 0 dist 9.46746 10.7968 5.53369 9.05496 8.55181 5.49492 9.21014 9.81589 8.86983 10.9591 numMergedOcc 0
23 mol 258 unq 8 iso 0 dist 9.46746 12.9568 8.57274 9.05496 8.55181 5.80854 9.21014 9.81589 15.1125 10.9591 numMergedOcc 0
24 mol 258 unq 9 iso 0 dist 7.31698 6.89961 9.48772 6.46484 8.55181 5.84297 4.58093 9.81589 9.73819 10.9591 numMergedOcc 0
25 mol 258 unq 10 iso 0 dist 7.31698 4.91726 5.53369 6.46484 8.55181 5.49492 4.58093 9.81589 8.86983 10.9591 numMergedOcc 0
26 mol 258 unq 11 iso 0 dist 7.31698 10.693 8.57274 6.46484 8.55181 5.80854 4.58093 9.81589 15.1125 10.9591 numMergedOcc 0
27 mol 258 unq 12 iso 0 dist 9.52903 5.66907 8.10903 14.2753 9.67877 13.3533 11.7204 9.6327 8.78474 6.95359 numMergedOcc 0
28 mol 258 unq 13 iso 0 dist 9.52903 5.66907 8.10903 7.52881 8.81059 5.90131 11.7204 9.6327 8.78474 13.987 numMergedOcc 0
29 mol 258 unq 14 iso 0 dist 9.52903 5.66907 8.10903 12.3042 9.12006 9.68064 11.7204 9.6327 8.78474 15.8856 numMergedOcc 0
30 mol 258 unq 15 iso 0 dist 9.52903 9.6053 7.25618 14.2753 9.67877 15.0574 11.7204 9.6327 11.3267 6.95359 numMergedOcc 0
31 mol 258 unq 16 iso 0 dist 9.52903 9.6053 7.25618 7.52881 8.81059 4.51422 11.7204 9.6327 11.3267 13.987 numMergedOcc 0
32 mol 258 unq 17 iso 0 dist 9.52903 9.6053 7.25618 12.3042 9.12006 4.99997 11.7204 9.6327 11.3267 15.8856 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 10.5063 6.54753 4.77695 10.6534 8.66133 5.53908 4.24707 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 9.80002 5.87385 5.78262 10.5063 6.54753 4.77695 15.8245 6.95569 12.7125 12.634 numMergedOcc 0
35 mol 273 unq 2 iso 0 dist 9.80002 10.5975 7.6489 10.5063 6.54753 9.01117 10.6534 8.66133 12.7274 4.24707 numMergedOcc 0
36 mol 273 unq 3 iso 0 dist 9.80002 10.5975 7.6489 10.5063 6.54753 9.01117 15.8245 6.95569 10.8576 12.634 numMergedOcc 0
37 mol 273 unq 4 iso 0 dist 6.73794 3.92089 5.78262 5.75973 6.54753 4.77695 3.80794 8.66133 5.53908 4.24707 numMergedOcc 0
38 mol 273 unq 5 iso 0 dist 6.73794 3.92089 5.78262 5.75973 6.54753 4.77695 13.255 6.95569 12.7125 12.634 numMergedOcc 0
39 mol 273 unq 6 iso 0 dist 6.73794 12.0094 7.6489 5.75973 6.54753 9.01117 3.80794 8.66133 12.7274 4.24707 numMergedOcc 0
40 mol 273 unq 7 iso 0 dist 6.73794 12.0094 7.6489 5.75973 6.54753 9.01117 13.255 6.95569 10.8576 12.634 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 14.2115 9.84188 10.2486 12.2421 9.91103 13.1828 19.0436 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 6.70414 12.5633 8.15119 14.2115 9.84188 10.2486 10.9521 7.0603 10.6994 15.7645 numMergedOcc 0
43 mol 277 unq 2 iso 0 dist 6.70414 12.5633 8.15119 10.8075 8.35794 7.94155 12.2421 9.91103 13.1828 17.6038 numMergedOcc 0
44 mol 277 unq 3 iso 0 dist 6.70414 12.5633 8.15119 10.8075 8.35794 7.94155 10.9521 7.0603 10.6994 14.772 numMergedOcc 0
45 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 9.23896 6.06665 5.19406 4.79186 numMergedOcc 0
46 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 9.23896 6.06665 5.19406 4.79186 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 11.3154 7.13655 5.37435 9.23896 6.06665 5.19406 4.79186 numMergedOcc 0
