0 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 9.5997 9.62394 9.57198 8.27962 6.85412 9.29529 4.45625 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 9.5997 9.62394 9.57198 11.4878 6.33889 7.2199 6.0397 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 7.12541 7.21955 8.71468 4.55117 8.26899 8.80108 10.8421 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 7.12541 7.21955 8.71468 5.64209 11.3177 6.50297 11.3634 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 10.6476 12.4575 6.96494 13.4366 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 10.2049 8.80614 9.11258 5.92889 9.58673 7.01363 8.88332 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 12.7331 12.4575 6.96494 13.4366 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 7.05413 9.58673 7.01363 8.88332 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 9.55426 6.31428 6.75888 5.74871 7.21955 8.71468 10.3782 8.26899 8.80108 10.8421 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 9.55426 6.31428 6.75888 5.74871 7.21955 8.71468 7.02095 11.3177 6.50297 11.3634 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 7.71095 6.71911 5.33688 9.64444 6.73347 9.2902 5.3525 8.24062 6.5096 7.0313 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 9.67592 8.68586 5.3948 6.21578 9.97159 9.32552 5.35421 11.9355 8.4517 6.90629 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 5.92062 9.22661 6.51868 11.8989 14.0449 9.94276 6.00607 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 5.92062 9.22661 6.51868 15.0734 13.5624 9.05357 10.2267 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 7.11802 7.92688 4.68409 5.92062 9.22661 6.51868 9.58627 9.65709 5.99299 5.59913 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 7.11802 7.92688 4.68409 6.61891 7.56378 7.34698 11.8989 14.0449 9.94276 12.0514 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 7.11802 7.92688 4.68409 6.61891 7.56378 7.34698 15.0734 13.5624 9.05357 14.5639 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 7.11802 7.92688 4.68409 6.61891 7.56378 7.34698 9.58627 9.65709 5.99299 6.27692 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 6.43582 7.51198 6.34186 5.50031 7.92304 9.80845 8.27726 7.36102 7.37901 5.50045 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 7.44554 6.27641 7.29758 5.4555 9.44367 5.81122 6.29785 9.36805 6.90155 10.143 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 8.94056 6.27641 8.67156 5.4555 7.90267 5.81122 6.29785 13.1853 6.90155 10.143 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 6.57069 9.8589 7.5414 8.29015 9.77896 5.4997 11.0415 11.3137 4.79852 4.30489 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.6251 6.2479 9.06217 8.25067 13.2702 8.20656 14.048 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 6.6251 6.2479 7.13252 8.25067 13.2702 9.40622 14.048 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 6.6251 7.99195 9.06217 8.25067 10.8351 8.20656 14.048 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 6.6251 7.99195 7.13252 8.25067 10.8351 9.40622 14.048 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 9.15386 9.6668 8.25067 9.34211 8.90963 5.95304 6.80228 6.94688 8.20656 4.43678 numMergedOcc 0
27 mol 181 unq 5 iso 0 dist 9.15386 9.6668 8.25067 9.34211 8.90963 5.95304 11.6919 6.71012 9.40622 6.03415 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 10.9607 5.41321 7.57454 13.3557 12.3856 7.95168 9.75331 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 9.72615 5.41321 7.57454 8.8709 12.3856 7.95168 9.75331 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 5.4638 8.21247 4.65302 7.60081 9.55668 7.95766 10.6981 10.7117 7.27958 4.29892 numMergedOcc 0
