0 mol 0 unq 0 iso 0 dist 9.94248 16.5727 9.23213 5.22416 8.66548 12.9149 18.3063 9.30151 7.40865 16.5244 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 8.038 10.7452 6.08338 13.0136 9.35562 14.0241 17.9599 10.2036 9.06424 14.491 numMergedOcc 0
2 mol 21 unq 1 iso 0 dist 8.038 10.7452 6.08338 9.88732 8.63857 4.20001 17.9599 10.2036 9.06424 13.0295 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 8.34024 14.1006 8.68559 9.05087 7.11053 10.7345 8.91744 7.14527 7.99969 11.636 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 9.03277 5.72266 6.79146 10.2401 8.9677 4.66904 5.96506 6.08911 7.88805 11.6521 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 9.03277 5.96312 7.66168 10.2401 8.9677 11.1455 5.96506 6.08911 7.90048 11.6521 numMergedOcc 0
6 mol 130 unq 2 iso 0 dist 9.03277 5.96312 7.66168 10.2401 8.9677 11.1455 14.4087 11.562 9.99802 19.2873 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 9.23118 5.40949 6.73313 9.16709 5.73635 4.88992 9.68323 5.8726 6.73956 8.62102 numMergedOcc 0
8 mol 182 unq 1 iso 0 dist 9.23118 5.40949 6.73313 9.16709 5.73635 4.88992 10.8403 10.7622 7.09394 10.0627 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 5.59438 9.56234 9.52936 7.12599 7.59939 13.8904 10.7055 7.4793 6.42735 14.4075 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 9.30817 12.8875 8.36117 9.26568 5.87439 6.04871 12.6062 4.4994 9.26504 6.22742 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 8.77324 5.19217 8.19953 5.52416 5.73591 5.13732 11.3309 6.99977 9.51597 10.7847 numMergedOcc 0
12 mol 235 unq 0 iso 0 dist 8.60471 5.47633 9.58736 13.3458 7.02029 13.7306 14.186 13.128 9.55668 13.3153 numMergedOcc 0
13 mol 235 unq 1 iso 0 dist 8.60471 10.2835 9.43058 13.3458 7.02029 7.31605 18.4708 17.5445 9.21736 13.6809 numMergedOcc 0
14 mol 235 unq 2 iso 0 dist 8.60471 15.2767 6.98084 13.3458 7.02029 8.26028 17.9826 11.921 8.69356 16.4608 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 8.61709 5.79022 6.05141 10.5939 8.69525 5.27215 10.8305 11.5793 8.94014 12.1725 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 8.61709 10.8459 8.09066 10.5939 8.69525 6.13368 10.8305 11.5793 7.02333 12.1725 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 8.61709 13.1103 7.2766 10.5939 8.69525 10.0605 10.8305 11.5793 8.67864 12.1725 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.33004 15.5637 9.19234 8.07655 6.66172 8.87855 17.0191 12.625 9.45514 9.65868 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 8.33004 15.5637 9.19234 8.07655 6.66172 8.87855 12.7847 4.60275 6.39866 8.60027 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 5.42845 13.002 9.19234 5.9397 6.66172 8.87855 14.0223 12.625 9.45514 9.65868 numMergedOcc 0
21 mol 274 unq 3 iso 0 dist 5.42845 13.002 9.19234 5.9397 6.66172 8.87855 9.67276 4.60275 6.39866 8.60027 numMergedOcc 0
22 mol 274 unq 4 iso 0 dist 5.62484 10.2307 9.19234 4.89003 6.66172 8.87855 14.0902 12.625 9.45514 9.65868 numMergedOcc 0
23 mol 274 unq 5 iso 0 dist 5.62484 10.2307 9.19234 4.89003 6.66172 8.87855 9.02661 4.60275 6.39866 8.60027 numMergedOcc 0
