0 mol 9 unq 0 iso 0 dist 9.8978 11.3797 9.62394 12.8762 9.5997 8.57077 6.67398 9.57198 5.60154 8.47421 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.26276 11.7623 9.62394 13.0231 9.5997 8.57077 9.03359 9.57198 5.60154 8.47421 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 5.97635 4.29856 6.83299 8.98505 6.30987 5.06052 5.02241 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 9.01612 10.2049 6.86465 9.80755 9.11258 6.47744 8.63333 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 6.36193 9.95364 6.62496 6.05206 10.4309 4.67832 9.64665 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 5.84625 5.40367 8.80614 4.88613 5.49591 6.35756 9.80755 9.11258 6.47744 8.89374 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 6.94677 8.42799 9.25641 14.5113 13.5488 6.65721 11.7076 14.7343 5.83489 8.76003 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 6.23138 4.96726 9.97159 8.99491 6.21578 9.67592 6.84612 9.32552 5.3948 8.68586 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.18898 4.52119 6.95572 11.8917 9.50382 7.4729 10.4617 5.39745 6.99832 5.81965 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.18898 4.52119 6.95572 9.79361 7.56363 6.82344 10.4617 5.39745 6.99832 9.70512 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 7.67331 4.52119 7.38677 11.8917 12.7565 7.4729 10.4617 10.8154 6.99832 5.81965 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 7.67331 4.52119 7.38677 9.79361 5.91004 6.82344 10.4617 10.8154 6.99832 9.70512 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 8.97111 4.84035 6.30546 8.32241 6.0268 6.06638 4.56139 7.36017 7.01257 7.75534 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.16862 12.7925 9.22232 18.2779 16.0138 7.11802 16.9099 12.3267 4.68409 7.92688 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.70325 15.4258 9.22232 20.1948 16.0138 7.11802 19.681 12.3267 4.68409 7.92688 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 6.42904 6.26797 9.22661 5.86531 5.92062 7.11802 5.80615 6.51868 4.68409 7.92688 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 7.31633 5.36939 7.56378 10.8427 6.61891 7.11802 6.2062 7.34698 4.68409 7.92688 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 5.66363 9.47799 8.90963 13.0329 9.81073 5.98885 13.9961 13.6646 5.4601 7.20046 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 5.66363 9.47799 8.90963 13.0329 9.81073 5.98885 17.8459 15.9219 10.0524 7.13543 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 5.66363 9.47799 8.90963 14.039 9.34211 9.15386 7.58472 5.95304 8.25067 9.6668 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 5.97968 9.09989 8.90963 12.9014 9.81073 5.98885 14.3484 13.6646 5.4601 7.20046 numMergedOcc 0
21 mol 181 unq 4 iso 0 dist 5.97968 9.09989 8.90963 12.9014 9.81073 5.98885 18.5885 15.9219 10.0524 7.13543 numMergedOcc 0
22 mol 181 unq 5 iso 0 dist 5.97968 9.09989 8.90963 12.9138 9.34211 9.15386 4.24915 5.95304 8.25067 9.6668 numMergedOcc 0
23 mol 181 unq 6 iso 0 dist 8.50382 12.4243 8.90963 14.5608 9.81073 5.98885 17.8278 13.6646 5.4601 7.20046 numMergedOcc 0
24 mol 181 unq 7 iso 0 dist 8.50382 12.4243 8.90963 14.5608 9.81073 5.98885 21.3183 15.9219 10.0524 7.13543 numMergedOcc 0
25 mol 181 unq 8 iso 0 dist 8.50382 12.4243 8.90963 12.2786 9.34211 9.15386 4.20499 5.95304 8.25067 9.6668 numMergedOcc 0
26 mol 181 unq 9 iso 0 dist 8.63119 4.98009 8.90963 10.3248 9.81073 5.98885 9.83377 13.6646 5.4601 7.20046 numMergedOcc 0
27 mol 181 unq 10 iso 0 dist 8.63119 4.98009 8.90963 10.3248 9.81073 5.98885 15.0198 15.9219 10.0524 7.13543 numMergedOcc 0
28 mol 181 unq 11 iso 0 dist 8.63119 4.98009 8.90963 11.7479 9.34211 9.15386 5.70246 5.95304 8.25067 9.6668 numMergedOcc 0
29 mol 181 unq 12 iso 0 dist 9.07527 9.32503 5.9176 12.06 5.63555 7.63312 6.24616 5.97685 9.60512 7.98142 numMergedOcc 0
30 mol 181 unq 13 iso 0 dist 9.07527 9.32503 5.9176 12.06 5.63555 7.63312 12.5567 8.9289 13.3389 7.37327 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 7.4513 8.0303 6.59716 10.6535 7.11498 9.23153 9.53744 9.7334 6.7067 6.84247 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 7.4513 8.0303 6.59716 10.6535 7.11498 9.23153 15.7874 13.5801 15.9568 6.99002 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 9.11072 9.85454 9.85289 16.6696 11.4459 8.49997 15.44 14.7249 6.8406 7.97444 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 9.02071 5.9882 9.85289 13.4994 11.4459 8.49997 12.5978 14.7249 6.8406 7.97444 numMergedOcc 0
