0 mol 24 unq 0 iso 0 dist 8.09311 9.05357 9.95274 4.79736 7.77964 12.1034 8.44664 3.84336 7.01276 9.98592 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.55597 7.52933 6.53015 6.47509 8.07318 11.842 7.45383 4.98822 11.0227 5.20109 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.55597 9.71956 9.19736 6.47509 8.07318 13.5069 7.45383 4.98822 10.3547 5.20109 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 6.55597 7.07751 5.78812 6.47509 8.07318 10.9998 7.45383 4.98822 7.91914 5.20109 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 6.55597 8.23761 7.36721 6.47509 8.07318 13.599 7.45383 4.98822 11.7069 5.20109 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 6.55597 9.49421 12.1732 6.47509 8.07318 10.156 7.45383 4.98822 9.62058 5.20109 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 4.79873 9.48085 12.7147 5.63212 7.44277 10.156 6.16347 5.46578 9.62058 5.20109 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 7.18022 6.24711 3.39994 4.55481 7.01952 4.58552 10.7798 7.68459 5.70782 6.88052 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 6.24711 7.18022 3.39994 4.55481 4.58552 7.01952 10.7798 5.70782 7.68459 6.88052 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.5087 6.08682 5.30471 6.41115 8.46627 9.22208 10.9586 12.3893 14.6305 5.7684 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.61588 8.72682 9.76138 5.9144 8.46627 9.94443 9.06229 12.3893 15.2594 5.7684 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 5.61588 6.45841 3.32668 5.9144 8.46627 10.7236 9.06229 12.3893 13.5897 5.7684 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 5.61588 7.83244 5.30471 5.9144 8.46627 9.22208 9.06229 12.3893 14.6305 5.7684 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 6.08682 5.5087 5.30471 6.41115 9.22208 8.46627 10.9586 14.6305 12.3893 5.7684 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 7.83244 8.72682 5.81659 5.9144 9.22208 9.94443 9.06229 14.6305 15.2594 5.7684 numMergedOcc 0
15 mol 73 unq 6 iso 0 dist 7.83244 6.45841 8.07648 5.9144 9.22208 10.7236 9.06229 14.6305 13.5897 5.7684 numMergedOcc 0
16 mol 73 unq 7 iso 0 dist 7.83244 5.61588 5.30471 5.9144 9.22208 8.46627 9.06229 14.6305 12.3893 5.7684 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 5.56994 9.05166 5.11 6.09562 7.31064 11.6819 9.28592 5.08111 8.72143 9.26353 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.69531 9.1998 5.83782 4.00092 8.62504 11.2397 9.94764 6.93712 11.5269 9.0176 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.40637 7.36975 10.1474 4.78563 9.29944 9.94557 7.78652 10.0079 12.207 5.06564 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.40637 7.36975 10.1474 4.78563 9.29944 9.94557 8.91301 9.05366 14.7271 7.5373 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.01624 6.64173 11.196 5.42158 9.92831 11.0482 5.94469 11.9796 4.98436 8.06308 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 5.42158 9.92831 12.1187 5.94469 11.9796 12.3589 8.06308 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 5.96423 8.97589 5.33725 4.08775 4.61596 9.52678 6.42735 4.67256 3.7949 7.81263 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 8.14831 6.50998 13.7858 6.28241 6.46405 12.7232 13.45 7.96454 18.9885 9.82043 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 8.14831 6.50998 13.7858 6.28241 6.46405 12.7232 11.7017 4.45116 17.5145 8.22922 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 8.14831 9.09424 11.2712 6.28241 6.46405 13.9849 13.45 7.96454 16.1303 9.82043 numMergedOcc 0
27 mol 225 unq 3 iso 0 dist 8.14831 9.09424 11.2712 6.28241 6.46405 13.9849 11.7017 4.45116 14.5337 8.22922 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.46442 7.30758 3.57128 17.5073 9.23612 11.928 14.0184 5.93687 9.40023 8.6233 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 9.46442 9.5785 11.3907 17.5073 9.23612 20.473 14.0184 5.93687 13.9196 8.6233 numMergedOcc 0
30 mol 292 unq 2 iso 0 dist 9.46442 9.76319 13.609 17.5073 9.23612 21.9374 14.0184 5.93687 14.8021 8.6233 numMergedOcc 0
