0 mol 9 unq 0 iso 0 dist 9.8978 11.3797 9.62394 6.67398 9.57198 5.60154 12.8762 9.5997 8.57077 8.47421 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.26276 11.7623 9.62394 9.03359 9.57198 5.60154 13.0231 9.5997 8.57077 8.47421 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 6.65725 8.73067 8.05213 10.2486 6.86684 4.61088 12.2274 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 8.98505 6.30987 5.06052 5.97635 4.29856 6.83299 5.02241 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.85981 10.8619 7.16773 4.62903 5.84875 6.28202 15.2938 6.63327 8.66265 11.465 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 10.3974 7.6481 13.9007 9.01612 10.2049 6.86465 17.4911 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 10.3974 7.6481 13.9007 6.36193 9.95364 6.62496 16.3613 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 5.84625 5.40367 8.80614 10.3974 7.6481 13.9007 4.88613 5.49591 6.35756 12.7237 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 5.84625 5.40367 8.80614 9.80755 9.11258 6.47744 9.01612 10.2049 6.86465 8.63333 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 5.84625 5.40367 8.80614 9.80755 9.11258 6.47744 6.36193 9.95364 6.62496 11.5023 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 5.84625 5.40367 8.80614 9.80755 9.11258 6.47744 4.88613 5.49591 6.35756 8.89374 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 6.94677 8.42799 9.25641 7.43727 7.46994 5.94559 14.5113 13.5488 6.65721 11.7721 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 6.23138 4.96726 9.97159 6.84612 9.32552 5.3948 8.99491 6.21578 9.67592 8.68586 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.18898 4.52119 6.95572 10.8544 6.72712 9.32974 11.8917 9.50382 7.4729 10.6071 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.18898 4.52119 6.95572 10.8544 6.72712 9.32974 9.79361 7.56363 6.82344 13.3102 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 9.18898 4.52119 6.95572 10.4617 5.39745 6.99832 11.8917 9.50382 7.4729 5.81965 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 9.18898 4.52119 6.95572 10.4617 5.39745 6.99832 9.79361 7.56363 6.82344 9.70512 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 9.47873 6.0129 8.70415 12.3884 7.06961 5.08437 10.417 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.94696 7.1452 4.47349 9.47873 6.0129 10.0962 12.3884 7.06961 6.10456 10.417 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 5.37126 8.809 5.31367 12.7833 7.436 7.5732 12.383 numMergedOcc 0
20 mol 114 unq 1 iso 0 dist 8.96382 8.14567 6.84011 4.7832 5.79343 8.88748 12.7833 7.436 7.5732 11.5084 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 8.97111 4.84035 6.30546 4.56139 7.36017 7.01257 8.32241 6.0268 6.06638 7.75534 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.16862 12.7925 9.22232 4.49984 8.21165 12.0863 18.2779 16.0138 7.11802 16.3407 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 9.70325 15.4258 9.22232 6.16425 8.21165 12.0863 20.1948 16.0138 7.11802 16.3407 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 6.42904 6.26797 9.22661 5.80615 6.51868 4.68409 5.86531 5.92062 7.11802 7.92688 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 7.31633 5.36939 7.56378 6.2062 7.34698 4.68409 10.8427 6.61891 7.11802 7.92688 numMergedOcc 0
26 mol 167 unq 0 iso 0 dist 9.14629 7.91498 9.67741 4.0737 7.80054 6.36909 16.5098 13.0123 9.87651 15.1367 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 5.66363 9.47799 8.90963 7.58472 5.95304 8.25067 9.86845 8.91338 9.1374 13.2702 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 5.66363 9.47799 8.90963 7.58472 5.95304 8.25067 13.0329 9.81073 5.98885 10.8351 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 5.66363 9.47799 8.90963 7.58472 5.95304 8.25067 14.039 9.34211 9.15386 9.6668 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 5.97968 9.09989 8.90963 4.24915 5.95304 8.25067 12.5284 8.91338 9.1374 13.2702 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 5.97968 9.09989 8.90963 4.24915 5.95304 8.25067 12.9014 9.81073 5.98885 10.8351 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 5.97968 9.09989 8.90963 4.24915 5.95304 8.25067 12.9138 9.34211 9.15386 9.6668 numMergedOcc 0
33 mol 181 unq 6 iso 0 dist 8.50382 12.4243 8.90963 4.20499 5.95304 8.25067 16.91 8.91338 9.1374 13.2702 numMergedOcc 0
34 mol 181 unq 7 iso 0 dist 8.50382 12.4243 8.90963 4.20499 5.95304 8.25067 14.5608 9.81073 5.98885 10.8351 numMergedOcc 0
35 mol 181 unq 8 iso 0 dist 8.50382 12.4243 8.90963 4.20499 5.95304 8.25067 12.2786 9.34211 9.15386 9.6668 numMergedOcc 0
36 mol 181 unq 9 iso 0 dist 8.63119 4.98009 8.90963 5.70246 5.95304 8.25067 12.0593 8.91338 9.1374 13.2702 numMergedOcc 0
37 mol 181 unq 10 iso 0 dist 8.63119 4.98009 8.90963 5.70246 5.95304 8.25067 10.3248 9.81073 5.98885 10.8351 numMergedOcc 0
38 mol 181 unq 11 iso 0 dist 8.63119 4.98009 8.90963 5.70246 5.95304 8.25067 11.7479 9.34211 9.15386 9.6668 numMergedOcc 0
39 mol 181 unq 12 iso 0 dist 6.95568 4.11061 6.59025 6.28043 6.32777 7.07409 11.5719 8.04639 8.03334 10.7636 numMergedOcc 0
40 mol 181 unq 13 iso 0 dist 9.07527 9.32503 5.9176 6.24616 5.97685 9.60512 12.06 5.63555 7.63312 7.98142 numMergedOcc 0
41 mol 181 unq 14 iso 0 dist 9.07527 9.32503 5.9176 12.5567 8.9289 13.3389 12.06 5.63555 7.63312 7.37327 numMergedOcc 0
