0 mol 34 unq 0 iso 0 dist 8.72742 15.3125 6.93364 12.762 6.34821 4.72138 numMergedOcc 0
1 mol 34 unq 0 iso 1 dist 8.72742 12.762 6.34821 15.3125 6.93364 4.72138 numMergedOcc 0
2 mol 146 unq 0 iso 0 dist 4.83039 5.57852 8.1069 11.4615 8.68349 10.651 numMergedOcc 0
3 mol 146 unq 0 iso 1 dist 4.83039 11.4615 8.68349 5.57852 8.1069 10.651 numMergedOcc 0
4 mol 146 unq 1 iso 0 dist 5.38829 4.75435 8.1069 6.21982 8.68349 10.651 numMergedOcc 0
5 mol 146 unq 1 iso 1 dist 5.38829 6.21982 8.68349 4.75435 8.1069 10.651 numMergedOcc 0
6 mol 146 unq 2 iso 0 dist 7.498 10.1016 8.1069 5.91626 8.68349 10.651 numMergedOcc 0
7 mol 146 unq 2 iso 1 dist 7.498 5.91626 8.68349 10.1016 8.1069 10.651 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.03116 10.4329 7.53158 7.55279 7.43407 5.14555 numMergedOcc 0
9 mol 154 unq 0 iso 1 dist 6.03116 7.55279 7.43407 10.4329 7.53158 5.14555 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 8.74174 14.2403 8.21476 9.45801 7.66897 7.11179 numMergedOcc 0
11 mol 163 unq 0 iso 1 dist 8.74174 9.45801 7.66897 14.2403 8.21476 7.11179 numMergedOcc 0
12 mol 189 unq 0 iso 0 dist 9.5853 14.9891 9.6013 15.4181 8.32712 4.7815 numMergedOcc 0
13 mol 189 unq 0 iso 1 dist 9.5853 15.4181 8.32712 14.9891 9.6013 4.7815 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 5.33789 11.3414 8.15936 11.6406 8.16598 5.17341 numMergedOcc 0
15 mol 198 unq 0 iso 1 dist 5.33789 11.6406 8.16598 11.3414 8.15936 5.17341 numMergedOcc 0
16 mol 198 unq 1 iso 0 dist 7.27215 9.61596 8.15936 12.7168 8.16598 5.17341 numMergedOcc 0
17 mol 198 unq 1 iso 1 dist 7.27215 12.7168 8.16598 9.61596 8.15936 5.17341 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.74485 6.95257 7.18771 9.98418 7.94894 4.89061 numMergedOcc 0
19 mol 239 unq 0 iso 1 dist 8.74485 9.98418 7.94894 6.95257 7.18771 4.89061 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 5.46783 12.0688 8.33853 5.53988 5.66537 7.50503 numMergedOcc 0
21 mol 240 unq 0 iso 1 dist 5.46783 5.53988 5.66537 12.0688 8.33853 7.50503 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 8.62351 7.02444 5.2361 13.7396 5.57515 9.93756 numMergedOcc 0
23 mol 252 unq 0 iso 1 dist 8.62351 13.7396 5.57515 7.02444 5.2361 9.93756 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 8.62351 7.02444 5.2361 14.6186 8.28694 11.2543 numMergedOcc 0
25 mol 252 unq 1 iso 1 dist 8.62351 14.6186 8.28694 7.02444 5.2361 11.2543 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 8.62351 13.7396 5.57515 14.6186 8.28694 4.79679 numMergedOcc 0
27 mol 252 unq 1 iso 1 dist 8.62351 14.6186 8.28694 13.7396 5.57515 4.79679 numMergedOcc 0
28 mol 252 unq 2 iso 0 dist 6.94319 8.26489 5.2361 5.76518 5.57515 9.93756 numMergedOcc 0
29 mol 252 unq 2 iso 1 dist 6.94319 5.76518 5.57515 8.26489 5.2361 9.93756 numMergedOcc 0
30 mol 252 unq 3 iso 0 dist 6.94319 8.26489 5.2361 7.48536 8.28694 11.2543 numMergedOcc 0
31 mol 252 unq 3 iso 1 dist 6.94319 7.48536 8.28694 8.26489 5.2361 11.2543 numMergedOcc 0
32 mol 252 unq 3 iso 0 dist 6.94319 5.76518 5.57515 7.48536 8.28694 4.79679 numMergedOcc 0
33 mol 252 unq 3 iso 1 dist 6.94319 7.48536 8.28694 5.76518 5.57515 4.79679 numMergedOcc 0
34 mol 278 unq 0 iso 0 dist 9.06043 5.38386 9.80746 7.70648 9.48589 10.1368 numMergedOcc 0
35 mol 278 unq 0 iso 1 dist 9.06043 7.70648 9.48589 5.38386 9.80746 10.1368 numMergedOcc 0
