0 mol 6 unq 0 iso 0 dist 8.63596 10.657 6.98764 5.65005 5.55524 7.88171 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 8.75871 4.81686 5.37391 7.04754 8.47514 4.17261 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 8.75871 4.81686 5.37391 9.78361 7.39086 6.68749 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 7.53599 14.0926 8.45034 11.4329 9.4228 13.3556 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.07389 14.9559 9.52295 5.84171 9.07906 11.8286 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.07389 14.9559 9.52295 9.30759 8.75567 12.381 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 5.94787 6.99148 7.9399 10.1192 9.854 4.47138 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 5.94787 6.99148 7.9399 5.28824 8.23749 4.16095 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.35752 6.61758 7.70787 5.53115 5.62694 10.9651 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.82214 12.1057 9.27456 9.53239 8.77199 4.49 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.82214 12.1057 9.27456 13.0232 8.81824 5.8457 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 9.06878 6.43546 4.83495 6.31094 8.99376 6.88024 numMergedOcc 0
12 mol 107 unq 0 iso 0 dist 7.20322 9.29034 8.83855 12.8769 7.02709 8.49615 numMergedOcc 0
13 mol 108 unq 0 iso 0 dist 6.85803 4.89603 9.10985 5.45706 9.13454 8.29763 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 5.52502 6.89612 4.78944 4.99775 6.60331 3.94206 numMergedOcc 0
15 mol 110 unq 1 iso 0 dist 5.52502 6.89612 4.78944 9.98015 9.22311 7.58348 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 5.27549 12.7434 9.13829 7.36905 8.5457 9.32263 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 5.27549 12.7434 9.13829 6.1358 6.7928 9.45514 numMergedOcc 0
18 mol 120 unq 2 iso 0 dist 5.27549 12.7434 9.13829 8.18801 7.59189 11.5746 numMergedOcc 0
19 mol 120 unq 3 iso 0 dist 5.27549 8.14582 5.90276 7.36905 8.5457 5.95039 numMergedOcc 0
20 mol 120 unq 4 iso 0 dist 5.27549 8.14582 5.90276 6.1358 6.7928 4.09501 numMergedOcc 0
21 mol 120 unq 5 iso 0 dist 5.27549 8.14582 5.90276 8.18801 7.59189 6.81436 numMergedOcc 0
22 mol 120 unq 6 iso 0 dist 5.27549 9.2673 8.565 7.36905 8.5457 14.645 numMergedOcc 0
23 mol 120 unq 7 iso 0 dist 5.27549 9.2673 8.565 6.1358 6.7928 10.2082 numMergedOcc 0
24 mol 120 unq 8 iso 0 dist 5.27549 9.2673 8.565 8.18801 7.59189 6.13307 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 6.09084 4.51847 9.32503 5.01665 9.3169 6.49108 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 6.09084 4.51847 9.32503 4.9475 5.5639 6.15159 numMergedOcc 0
27 mol 143 unq 2 iso 0 dist 6.09084 10.559 8.58421 5.01665 9.3169 9.79072 numMergedOcc 0
28 mol 143 unq 3 iso 0 dist 6.09084 10.559 8.58421 4.9475 5.5639 5.80488 numMergedOcc 0
29 mol 157 unq 0 iso 0 dist 9.94725 11.553 6.09357 8.89036 7.52643 3.99423 numMergedOcc 0
30 mol 165 unq 0 iso 0 dist 9.83155 7.37861 5.94867 9.07226 5.50236 5.37365 numMergedOcc 0
31 mol 167 unq 0 iso 0 dist 7.71402 4.88159 6.00793 12.6052 6.85239 9.57777 numMergedOcc 0
32 mol 167 unq 1 iso 0 dist 7.71402 4.88159 6.00793 12.4033 5.72735 8.66436 numMergedOcc 0
33 mol 206 unq 0 iso 0 dist 9.1579 8.60571 6.38964 13.5094 7.03546 5.70669 numMergedOcc 0
34 mol 206 unq 1 iso 0 dist 9.1579 8.60571 6.38964 15.3449 9.62822 10.3584 numMergedOcc 0
