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 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 4.39605 7.48342 10.0974 5.01321 10.2713 8.96967 8.56857 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 9.97507 7.12903 5.90976 12.1303 7.48342 10.0974 5.55659 10.2713 8.96967 8.56857 numMergedOcc 0
4 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
5 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
6 mol 58 unq 2 iso 0 dist 6.86465 9.58673 5.92889 5.78774 9.92355 13.7654 6.47744 8.63333 7.01363 12.0055 numMergedOcc 0
7 mol 58 unq 3 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
8 mol 58 unq 4 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
9 mol 58 unq 5 iso 0 dist 6.62496 9.58673 10.2241 5.78774 5.93884 13.7654 6.47744 11.5023 7.01363 12.0055 numMergedOcc 0
10 mol 58 unq 6 iso 0 dist 6.35756 9.58673 7.05413 5.78774 7.68678 13.7654 6.47744 8.89374 7.01363 12.0055 numMergedOcc 0
11 mol 58 unq 7 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
12 mol 58 unq 8 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
13 mol 58 unq 9 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 7.02095 11.3177 6.96494 11.3634 numMergedOcc 0
14 mol 58 unq 10 iso 0 dist 9.55426 9.73139 13.1021 5.74871 7.21955 14.2645 8.94672 16.3779 7.01363 14.6566 numMergedOcc 0
15 mol 58 unq 11 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
16 mol 58 unq 12 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
17 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
18 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
19 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 11.6378 9.27838 13.1462 7.11552 6.77912 9.19459 4.67641 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 9.96708 7.321 9.0131 11.6378 9.27838 13.1462 7.17489 10.4676 8.59747 7.04549 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 11.8989 14.0449 9.94276 22.223 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 15.0734 13.5624 9.05357 19.2596 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 7.11802 7.92688 4.68409 16.0138 9.22232 12.3267 9.58627 9.65709 5.99299 17.3666 numMergedOcc 0
24 mol 133 unq 3 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
25 mol 133 unq 4 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
26 mol 133 unq 5 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
27 mol 133 unq 6 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
28 mol 133 unq 7 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
29 mol 133 unq 8 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
30 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 5.50031 7.92304 13.3276 6.3437 12.2465 6.51096 10.1521 numMergedOcc 0
31 mol 155 unq 1 iso 0 dist 6.43582 9.14392 12.1814 5.50031 7.92304 13.3276 9.99927 15.1841 8.73171 11.1272 numMergedOcc 0
32 mol 155 unq 2 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
33 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
34 mol 156 unq 1 iso 0 dist 7.44554 6.27641 7.29758 11.9952 9.47433 13.7525 6.29785 9.36805 6.90155 10.0003 numMergedOcc 0
35 mol 156 unq 2 iso 0 dist 7.44554 9.36805 6.29785 5.71511 9.4013 10.735 7.29758 6.27641 6.90155 5.05683 numMergedOcc 0
36 mol 156 unq 3 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
37 mol 156 unq 4 iso 0 dist 9.83699 7.55203 6.29785 5.80008 9.4013 10.735 4.53931 6.27641 6.90155 5.05683 numMergedOcc 0
38 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
39 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
40 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
41 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 5.6044 9.72611 10.3766 8.25067 10.8351 8.20656 6.27947 numMergedOcc 0
42 mol 181 unq 3 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
43 mol 181 unq 4 iso 0 dist 5.98885 6.71012 9.14057 5.6044 9.72611 10.7723 8.25067 10.8351 9.40622 6.27947 numMergedOcc 0
44 mol 181 unq 5 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
45 mol 181 unq 6 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
46 mol 181 unq 7 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
47 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 6.35849 7.43071 12.2922 13.3557 12.3856 7.95168 17.4655 numMergedOcc 0
48 mol 227 unq 1 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
49 mol 227 unq 2 iso 0 dist 8.65997 9.62609 14.6185 10.204 7.43071 19.0662 8.8709 12.3856 6.152 17.4655 numMergedOcc 0
50 mol 227 unq 3 iso 0 dist 8.65997 9.62609 14.6185 9.72615 5.41321 14.0608 8.8709 12.3856 6.152 9.75331 numMergedOcc 0
51 mol 227 unq 4 iso 0 dist 8.65997 6.95902 6.43754 10.204 7.43071 12.2922 8.8709 12.3856 7.95168 17.4655 numMergedOcc 0
52 mol 227 unq 5 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
53 mol 227 unq 6 iso 0 dist 7.09863 8.17891 9.13836 6.35849 6.02296 12.2922 13.3557 16.1617 7.95168 17.4655 numMergedOcc 0
54 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
55 mol 239 unq 0 iso 0 dist 7.00034 7.20082 7.04058 10.0842 9.01021 10.9156 6.26168 7.39747 6.34801 5.2908 numMergedOcc 0
