0 mol 54 unq 0 iso 0 dist 6.13476 13.1047 9.5589 6.2425 5.02241 6.91765 6.54052 4.29856 10.6808 6.30987 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.13476 10.0565 6.83299 6.2425 5.02241 5.06052 6.54052 4.29856 6.14538 6.30987 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 6.13476 5.77448 8.10861 6.2425 5.02241 10.1332 6.54052 4.29856 10.4158 6.30987 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.04163 6.34076 5.93252 11.4785 5.64598 9.77992 13.5801 8.44406 13.6162 7.10439 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.88953 3.92763 5.93252 12.0993 5.64598 9.77992 16.9935 8.44406 13.6162 7.10439 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 5.39389 7.76729 10.7942 12.9167 14.0688 13.3009 7.70313 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 5.39389 7.76729 10.9739 12.9167 14.0688 17.0848 7.70313 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 5.26498 7.64585 10.2377 9.19273 6.40494 12.125 7.52142 numMergedOcc 0
8 mol 115 unq 3 iso 0 dist 5.22628 6.8104 6.11741 5.26498 7.64585 10.8939 9.19273 6.40494 12.2743 7.52142 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.94909 8.76089 7.11802 11.1266 7.92688 4.68409 12.3907 5.92062 9.22661 6.51868 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.94909 8.76089 7.11802 11.1266 7.92688 4.68409 14.2267 6.61891 7.56378 7.34698 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.94909 6.80087 8.00618 11.1266 7.92688 12.2037 12.3907 5.92062 13.5028 6.51868 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 8.94909 6.80087 8.00618 11.1266 7.92688 12.2037 14.2267 6.61891 11.8433 7.34698 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 9.09192 6.94688 6.25083 12.8705 6.6251 6.2479 9.06217 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 12.1848 6.71012 4.77278 12.8705 6.6251 6.2479 7.13252 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 7.15963 6.73556 5.98885 9.09192 6.94688 5.86342 12.8705 6.6251 7.99195 9.06217 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 12.1848 6.71012 9.14057 12.8705 6.6251 7.99195 7.13252 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 7.15963 5.49666 9.15386 9.09192 6.94688 6.80228 12.8705 6.6251 12.8533 9.06217 numMergedOcc 0
18 mol 181 unq 5 iso 0 dist 7.15963 5.49666 9.15386 12.1848 6.71012 11.6919 12.8705 6.6251 12.8533 7.13252 numMergedOcc 0
19 mol 181 unq 6 iso 0 dist 6.43406 10.9813 7.81386 4.56814 4.93785 6.7991 9.0234 7.77758 5.94469 7.05653 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 6.15396 8.36822 5.71262 11.3948 8.49529 8.77999 7.33225 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 8.9413 12.4455 9.45496 6.40261 9.5707 15.9563 12.7701 10.0059 17.6227 7.43663 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 8.9413 14.0876 6.7625 6.40261 9.5707 14.4106 12.7701 10.0059 12.6238 7.43663 numMergedOcc 0
23 mol 234 unq 2 iso 0 dist 4.91961 11.5103 9.45496 12.2893 9.5707 15.9563 9.33455 10.0059 17.6227 7.43663 numMergedOcc 0
24 mol 234 unq 3 iso 0 dist 4.91961 4.98993 6.7625 12.2893 9.5707 14.4106 9.33455 10.0059 12.6238 7.43663 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 8.84872 4.28841 5.4638 13.4086 9.58736 9.66021 20.4752 15.6327 16.5425 7.31773 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 9.86979 7.79167 9.02271 10.094 7.19465 7.92528 15.5271 5.78064 13.07 9.58354 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.20344 5.56656 7.88519 12.9748 7.48005 11.6195 10.7258 8.81835 7.98231 8.71497 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.20344 6.08432 7.84554 12.9748 7.48005 11.8736 10.7258 8.81835 11.6972 8.71497 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 12.9748 7.48005 5.79468 10.7258 8.81835 7.08526 8.71497 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 6.20344 9.55719 9.18903 12.9748 7.48005 12.6649 10.7258 8.81835 15.8414 8.71497 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 7.12228 4.36798 6.33524 7.00729 7.32347 6.3384 9.88071 6.6348 10.6906 6.8972 numMergedOcc 0
