0 mol 0 unq 0 iso 0 dist 7.31837 7.65884 8.34244 9.42137 5.24778 9.23213 6.99594 6.0597 6.3267 10.3034 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.8978 6.67398 9.57198 12.8762 9.5997 8.47421 12.2544 4.45625 9.29529 8.27962 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.8978 6.67398 9.57198 12.8762 9.5997 8.47421 8.77049 6.0397 7.2199 11.4878 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 6.26276 9.03359 9.57198 13.0231 9.5997 8.47421 9.79973 4.45625 9.29529 8.27962 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 6.26276 9.03359 9.57198 13.0231 9.5997 8.47421 6.95341 6.0397 7.2199 11.4878 numMergedOcc 0
5 mol 11 unq 0 iso 0 dist 9.52695 6.65725 8.73067 14.3284 10.9183 9.53002 11.343 8.17605 5.43238 7.85924 numMergedOcc 0
6 mol 27 unq 0 iso 0 dist 5.66743 11.6846 7.60283 19.7162 14.3929 9.77484 11.6186 7.47886 8.11206 10.1814 numMergedOcc 0
7 mol 27 unq 1 iso 0 dist 7.42669 8.05284 7.60283 16.4314 14.3929 9.77484 9.19658 7.47886 8.11206 10.1814 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 5.84625 9.80755 9.11258 9.01612 10.2049 8.63333 15.5782 13.4366 6.96494 10.6476 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 5.84625 9.80755 9.11258 9.01612 10.2049 8.63333 11.074 8.88332 7.01363 5.92889 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 5.84625 9.80755 9.11258 4.88613 5.49591 8.89374 15.5782 13.4366 6.96494 12.7331 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 5.84625 9.80755 9.11258 4.88613 5.49591 8.89374 11.074 8.88332 7.01363 7.05413 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 5.84625 9.80755 9.11258 10.3132 5.85698 6.46761 15.5782 13.4366 6.96494 8.74789 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 5.84625 9.80755 9.11258 10.3132 5.85698 6.46761 11.074 8.88332 7.01363 6.61756 numMergedOcc 0
14 mol 58 unq 6 iso 0 dist 5.84625 9.80755 9.11258 16.5848 12.2123 9.73139 15.5782 13.4366 6.96494 7.02095 numMergedOcc 0
15 mol 58 unq 7 iso 0 dist 5.84625 9.80755 9.11258 16.5848 12.2123 9.73139 11.074 8.88332 7.01363 8.94672 numMergedOcc 0
16 mol 64 unq 0 iso 0 dist 6.23138 6.84612 9.32552 8.99491 6.21578 8.68586 10.6144 6.90629 8.4517 5.35421 numMergedOcc 0
17 mol 64 unq 1 iso 0 dist 6.23138 6.84612 9.32552 13.8335 11.4485 9.54144 10.6144 6.90629 8.4517 5.68303 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 8.27794 8.32999 9.83981 13.0299 13.7032 6.73814 14.9408 9.47219 9.86739 12.1324 numMergedOcc 0
19 mol 114 unq 1 iso 0 dist 8.27794 8.32999 9.83981 13.0299 13.7032 6.73814 16.206 14.0577 8.39249 6.95201 numMergedOcc 0
20 mol 114 unq 2 iso 0 dist 8.27794 8.32999 9.83981 13.0299 13.7032 6.73814 11.8658 10.6837 8.93623 5.9968 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 6.42904 5.80615 6.51868 5.86531 5.92062 7.92688 10.7899 6.00607 9.94276 11.8989 numMergedOcc 0
22 mol 133 unq 1 iso 0 dist 6.42904 5.80615 6.51868 5.86531 5.92062 7.92688 11.5344 10.2267 9.05357 15.0734 numMergedOcc 0
23 mol 133 unq 2 iso 0 dist 6.42904 5.80615 6.51868 5.86531 5.92062 7.92688 9.98051 5.59913 5.99299 9.58627 numMergedOcc 0
24 mol 133 unq 3 iso 0 dist 7.31633 6.2062 7.34698 10.8427 6.61891 7.92688 15.1748 12.0514 9.94276 11.8989 numMergedOcc 0
25 mol 133 unq 4 iso 0 dist 7.31633 6.2062 7.34698 10.8427 6.61891 7.92688 13.8795 14.5639 9.05357 15.0734 numMergedOcc 0
26 mol 133 unq 5 iso 0 dist 7.31633 6.2062 7.34698 10.8427 6.61891 7.92688 8.9344 6.27692 5.99299 9.58627 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 5.49198 5.90631 6.93279 13.3013 14.2198 8.94837 9.2078 12.2578 6.4218 5.9915 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 5.49198 5.90631 6.93279 13.0519 11.147 7.77454 9.2078 12.2578 6.4218 10.7186 numMergedOcc 0
29 mol 173 unq 0 iso 0 dist 9.38737 10.5012 8.41245 14.1437 6.14414 7.93331 15.4477 12.6533 9.79554 13.3053 numMergedOcc 0
30 mol 173 unq 1 iso 0 dist 9.38737 10.5012 8.41245 12.8143 5.27321 6.98095 15.4477 12.6533 9.79554 8.94065 numMergedOcc 0
31 mol 173 unq 2 iso 0 dist 9.38737 10.5012 8.41245 17.2257 10.8609 8.31897 15.4477 12.6533 9.79554 14.2537 numMergedOcc 0
32 mol 173 unq 3 iso 0 dist 9.51638 12.905 6.64779 14.0294 4.72839 7.93331 22.5366 15.1434 9.79554 13.3053 numMergedOcc 0
33 mol 173 unq 4 iso 0 dist 9.51638 12.905 6.64779 17.3029 8.07089 6.98095 22.5366 15.1434 9.79554 8.94065 numMergedOcc 0
34 mol 173 unq 5 iso 0 dist 9.51638 12.905 6.64779 12.2385 5.70743 8.31897 22.5366 15.1434 9.79554 14.2537 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 5.66363 7.58472 5.95304 14.039 9.34211 9.6668 8.45395 4.43678 8.20656 6.80228 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 5.66363 7.58472 5.95304 14.039 9.34211 9.6668 5.41368 6.03415 9.40622 11.6919 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 5.97968 4.24915 5.95304 12.9138 9.34211 9.6668 9.15368 4.43678 8.20656 6.80228 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 5.97968 4.24915 5.95304 12.9138 9.34211 9.6668 7.96182 6.03415 9.40622 11.6919 numMergedOcc 0
39 mol 181 unq 4 iso 0 dist 8.50382 4.20499 5.95304 12.2786 9.34211 9.6668 11.6365 4.43678 8.20656 6.80228 numMergedOcc 0
40 mol 181 unq 5 iso 0 dist 8.50382 4.20499 5.95304 12.2786 9.34211 9.6668 13.0537 6.03415 9.40622 11.6919 numMergedOcc 0
41 mol 181 unq 6 iso 0 dist 8.63119 5.70246 5.95304 11.7479 9.34211 9.6668 9.20477 4.43678 8.20656 6.80228 numMergedOcc 0
42 mol 181 unq 7 iso 0 dist 8.63119 5.70246 5.95304 11.7479 9.34211 9.6668 7.90237 6.03415 9.40622 11.6919 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 9.41148 6.17401 7.10413 7.70279 6.2188 7.07392 13.0193 10.4271 9.86861 6.66754 numMergedOcc 0
44 mol 232 unq 1 iso 0 dist 9.41148 6.17401 7.10413 12.1893 6.09015 9.62952 13.0193 10.4271 9.86861 5.82592 numMergedOcc 0
45 mol 270 unq 0 iso 0 dist 8.55914 6.41275 7.89388 7.82003 5.43023 8.25349 12.9688 6.0625 9.16073 10.1677 numMergedOcc 0
46 mol 270 unq 1 iso 0 dist 8.55914 6.41275 7.89388 7.82003 5.43023 8.25349 8.76013 5.91256 8.39167 10.4895 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 6.83113 5.95459 9.20749 6.55855 5.64601 9.19234 8.62431 11.0599 8.49866 14.168 numMergedOcc 0
