0 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 5.60154 8.47421 9.57198 6.85412 8.27962 4.45625 9.29529 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 9.62394 9.5997 5.60154 8.47421 9.57198 6.33889 11.4878 6.0397 7.2199 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 8.05213 12.2274 8.73067 10.0658 12.7882 8.17605 5.43238 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 8.26899 5.98837 10.8421 8.80108 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.81627 7.21955 7.09066 6.75888 10.335 8.71468 11.3177 11.0512 11.3634 6.50297 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.32874 7.21955 7.12541 6.75888 6.40841 8.71468 8.26899 4.55117 10.8421 8.80108 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.32874 7.21955 7.12541 6.75888 6.40841 8.71468 11.3177 5.64209 11.3634 6.50297 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 12.4575 10.6476 13.4366 6.96494 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 6.86465 8.80614 10.2049 6.47744 8.63333 9.11258 9.58673 5.92889 8.88332 7.01363 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 12.4575 15.4158 13.4366 6.96494 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 6.62496 8.80614 9.95364 6.47744 11.5023 9.11258 9.58673 10.2241 8.88332 7.01363 numMergedOcc 0
11 mol 58 unq 8 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 12.4575 12.7331 13.4366 6.96494 numMergedOcc 0
12 mol 58 unq 9 iso 0 dist 6.35756 8.80614 5.49591 6.47744 8.89374 9.11258 9.58673 7.05413 8.88332 7.01363 numMergedOcc 0
13 mol 58 unq 10 iso 0 dist 9.55426 7.21955 5.74871 6.75888 6.31428 8.71468 8.26899 10.3782 10.8421 8.80108 numMergedOcc 0
14 mol 58 unq 11 iso 0 dist 9.55426 7.21955 5.74871 6.75888 6.31428 8.71468 11.3177 7.02095 11.3634 6.50297 numMergedOcc 0
15 mol 59 unq 0 iso 0 dist 7.71095 6.73347 9.64444 5.33688 6.71911 9.2902 8.24062 5.3525 7.0313 6.5096 numMergedOcc 0
16 mol 59 unq 1 iso 0 dist 8.84665 6.73347 4.36133 5.33688 12.8699 9.2902 8.24062 11.0387 7.0313 6.5096 numMergedOcc 0
17 mol 59 unq 2 iso 0 dist 8.25513 6.73347 6.66692 5.33688 11.6249 9.2902 8.24062 9.15805 7.0313 6.5096 numMergedOcc 0
18 mol 64 unq 0 iso 0 dist 9.67592 9.97159 6.21578 5.3948 8.68586 9.32552 11.9355 5.35421 6.90629 8.4517 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 7.5732 6.84011 7.436 5.31367 12.383 8.809 10.6048 13.7307 6.76585 9.86739 numMergedOcc 0
20 mol 114 unq 1 iso 0 dist 7.5732 6.84011 7.436 5.31367 12.383 8.809 10.3172 16.696 13.9603 9.49413 numMergedOcc 0
21 mol 114 unq 2 iso 0 dist 7.5732 6.84011 7.436 8.88748 11.5084 5.79343 10.6048 13.7307 6.76585 8.39249 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.11802 9.22661 5.92062 4.68409 7.92688 6.51868 14.0449 11.8989 6.00607 9.94276 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 7.11802 9.22661 5.92062 4.68409 7.92688 6.51868 13.5624 15.0734 10.2267 9.05357 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 7.11802 9.22661 5.92062 4.68409 7.92688 6.51868 9.65709 9.58627 5.59913 5.99299 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 7.11802 7.56378 6.61891 4.68409 7.92688 7.34698 14.0449 11.8989 12.0514 9.94276 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 7.11802 7.56378 6.61891 4.68409 7.92688 7.34698 13.5624 15.0734 14.5639 9.05357 numMergedOcc 0
27 mol 133 unq 5 iso 0 dist 7.11802 7.56378 6.61891 4.68409 7.92688 7.34698 9.65709 9.58627 6.27692 5.99299 numMergedOcc 0
28 mol 155 unq 0 iso 0 dist 6.43582 7.92304 5.50031 6.34186 7.51198 9.80845 7.36102 8.27726 5.50045 7.37901 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 7.44554 9.44367 5.4555 7.29758 6.27641 5.81122 9.36805 6.29785 10.143 6.90155 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 7.66148 7.90267 6.03934 8.67156 10.9818 5.81122 13.1853 15.7866 10.143 6.90155 numMergedOcc 0
31 mol 156 unq 2 iso 0 dist 8.94056 7.90267 5.4555 8.67156 6.27641 5.81122 13.1853 6.29785 10.143 6.90155 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 6.57069 9.77896 8.29015 7.5414 9.8589 5.4997 11.3137 11.0415 4.30489 4.79852 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.1374 8.90963 8.91338 8.25067 13.2702 5.95304 6.94688 6.25083 4.43678 8.20656 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.1374 8.90963 8.91338 8.25067 13.2702 5.95304 6.71012 4.77278 6.03415 9.40622 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 9.1374 6.2479 6.6251 6.25083 6.94688 9.06217 13.2702 8.25067 14.048 8.20656 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 9.1374 6.2479 6.6251 4.77278 6.71012 7.13252 13.2702 8.25067 14.048 9.40622 numMergedOcc 0
37 mol 181 unq 4 iso 0 dist 8.03334 6.2479 7.81713 6.25083 12.1309 9.06217 13.2702 19.5806 14.048 8.20656 numMergedOcc 0
38 mol 181 unq 5 iso 0 dist 8.03334 6.2479 7.81713 4.77278 12.2058 7.13252 13.2702 19.5806 14.048 9.40622 numMergedOcc 0
39 mol 181 unq 6 iso 0 dist 5.98885 8.90963 9.81073 8.25067 10.8351 5.95304 6.94688 5.86342 4.43678 8.20656 numMergedOcc 0
40 mol 181 unq 7 iso 0 dist 5.98885 8.90963 9.81073 8.25067 10.8351 5.95304 6.71012 9.14057 6.03415 9.40622 numMergedOcc 0
41 mol 181 unq 8 iso 0 dist 5.98885 7.99195 6.6251 5.86342 6.94688 9.06217 10.8351 8.25067 14.048 8.20656 numMergedOcc 0
42 mol 181 unq 9 iso 0 dist 5.98885 7.99195 6.6251 9.14057 6.71012 7.13252 10.8351 8.25067 14.048 9.40622 numMergedOcc 0
43 mol 181 unq 10 iso 0 dist 9.09537 7.99195 10.09 5.86342 14.4632 9.06217 10.8351 17.441 14.048 8.20656 numMergedOcc 0
44 mol 181 unq 11 iso 0 dist 9.09537 7.99195 10.09 9.14057 15.4777 7.13252 10.8351 17.441 14.048 9.40622 numMergedOcc 0
45 mol 181 unq 12 iso 0 dist 9.15386 8.90963 9.34211 8.25067 9.6668 5.95304 6.94688 6.80228 4.43678 8.20656 numMergedOcc 0
46 mol 181 unq 13 iso 0 dist 9.15386 8.90963 9.34211 8.25067 9.6668 5.95304 6.71012 11.6919 6.03415 9.40622 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 9.40098 9.51597 4.98993 7.67202 11.1518 8.08737 8.19953 8.64911 6.99977 4.55996 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 6.61986 9.51597 12.4692 7.67202 12.6391 8.08737 8.19953 10.7113 6.99977 4.55996 numMergedOcc 0
49 mol 227 unq 0 iso 0 dist 9.34734 5.41321 10.7656 6.43754 12.4085 7.57454 12.3856 14.7498 9.75331 7.95168 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 7.22101 5.41321 10.9607 6.43754 8.17891 7.57454 12.3856 13.3557 9.75331 7.95168 numMergedOcc 0
51 mol 227 unq 2 iso 0 dist 8.65997 5.41321 9.72615 6.43754 6.95902 7.57454 12.3856 8.8709 9.75331 7.95168 numMergedOcc 0
52 mol 227 unq 3 iso 0 dist 7.56888 5.41321 5.10635 6.43754 11.004 7.57454 12.3856 12.0094 9.75331 7.95168 numMergedOcc 0
53 mol 227 unq 4 iso 0 dist 7.55216 5.41321 6.48027 6.43754 12.8864 7.57454 12.3856 15.5877 9.75331 7.95168 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 5.9221 13.651 7.43663 6.16063 11.3297 7.17691 8.49841 numMergedOcc 0
55 mol 234 unq 1 iso 0 dist 8.41436 7.32499 10.7902 5.9221 13.651 7.43663 11.4691 14.7138 4.51304 9.6101 numMergedOcc 0
56 mol 234 unq 2 iso 0 dist 8.41436 7.32499 10.7902 13.2297 18.6592 7.94068 11.4691 14.7138 4.51304 5.32183 numMergedOcc 0
57 mol 234 unq 3 iso 0 dist 8.92474 7.32499 4.4288 5.9221 10.521 7.43663 6.16063 10.2563 7.17691 8.49841 numMergedOcc 0
58 mol 234 unq 4 iso 0 dist 8.92474 7.32499 4.4288 5.9221 10.521 7.43663 11.4691 6.60398 4.51304 9.6101 numMergedOcc 0
59 mol 234 unq 5 iso 0 dist 8.92474 7.32499 4.4288 13.2297 11.4702 7.94068 11.4691 6.60398 4.51304 5.32183 numMergedOcc 0
60 mol 235 unq 0 iso 0 dist 5.4638 9.55668 7.60081 4.65302 8.21247 7.95766 10.7117 10.6981 4.29892 7.27958 numMergedOcc 0
61 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 11.0401 14.1514 8.90076 13.368 15.0961 13.3255 6.00721 numMergedOcc 0
