0 mol 21 unq 0 iso 0 dist 8.38921 7.298 9.35137 6.25842 9.06424 4.8139 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.38921 7.24579 7.81429 6.25842 9.06424 12.1147 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 8.38921 8.1613 9.39415 6.25842 9.06424 13.6338 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.13365 6.66082 9.61998 7.1011 7.33768 4.86245 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.13365 6.66082 9.61998 10.8208 9.01567 12.4877 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.13365 6.66082 9.61998 13.3998 7.29868 14.5906 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 9.28346 11.6636 5.61656 6.51677 7.12365 6.10786 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 9.28346 12.77 7.22242 6.51677 7.12365 8.35022 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.47617 4.97991 6.79185 12.8271 8.95682 7.95596 numMergedOcc 0
9 mol 62 unq 0 iso 0 dist 6.56664 4.11778 7.13406 6.71938 7.56205 9.89877 numMergedOcc 0
10 mol 62 unq 1 iso 0 dist 7.99003 7.3643 7.13406 5.31715 7.56205 9.89877 numMergedOcc 0
11 mol 62 unq 2 iso 0 dist 9.96382 9.77774 7.13406 6.76473 7.56205 9.89877 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 5.45787 5.77307 9.56285 5.35819 9.01852 10.0128 numMergedOcc 0
13 mol 108 unq 1 iso 0 dist 5.45787 5.77307 9.56285 6.01187 9.75958 6.46036 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.14737 11.8121 8.02386 14.372 7.50013 6.08776 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 9.14737 11.8121 8.02386 14.6749 5.81233 9.67405 numMergedOcc 0
16 mol 197 unq 2 iso 0 dist 9.14737 11.8121 8.02386 5.9589 6.92924 6.34927 numMergedOcc 0
17 mol 197 unq 3 iso 0 dist 9.14737 11.8121 8.02386 9.27427 7.14306 12.7634 numMergedOcc 0
18 mol 197 unq 4 iso 0 dist 9.14737 5.18119 6.6259 14.372 7.50013 11.529 numMergedOcc 0
19 mol 197 unq 5 iso 0 dist 9.14737 5.18119 6.6259 14.6749 5.81233 11.1317 numMergedOcc 0
20 mol 197 unq 6 iso 0 dist 9.14737 5.18119 6.6259 5.9589 6.92924 6.01177 numMergedOcc 0
21 mol 197 unq 7 iso 0 dist 9.14737 5.18119 6.6259 9.27427 7.14306 4.09986 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 7.94694 11.3482 5.52084 8.91883 6.16414 9.78738 numMergedOcc 0
23 mol 206 unq 1 iso 0 dist 7.94694 11.3482 5.52084 8.83227 7.33701 7.21306 numMergedOcc 0
24 mol 206 unq 2 iso 0 dist 7.94694 11.3482 5.52084 10.6714 8.0871 4.91529 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 7.22234 14.5443 8.29133 6.51731 7.37798 14.6555 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 7.22234 14.5443 8.29133 12.2528 7.73322 4.14961 numMergedOcc 0
27 mol 213 unq 2 iso 0 dist 5.86501 11.4798 8.29133 4.40169 7.37798 14.6555 numMergedOcc 0
28 mol 213 unq 3 iso 0 dist 5.86501 11.4798 8.29133 9.42696 7.73322 4.14961 numMergedOcc 0
29 mol 213 unq 4 iso 0 dist 8.48081 14.5443 8.96646 12.2528 8.14332 4.14961 numMergedOcc 0
30 mol 213 unq 5 iso 0 dist 8.48081 15.4318 7.2016 12.2528 8.14332 12.2386 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 6.15754 10.5297 7.72403 14.7836 9.81425 10.8078 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 6.6281 10.3089 7.72403 10.5885 9.81425 10.8078 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 7.0935 4.43802 7.55134 12.7219 6.68687 10.9665 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 8.88567 7.11636 8.65577 10.9171 9.76787 7.52635 numMergedOcc 0
35 mol 284 unq 0 iso 0 dist 9.12551 6.3943 8.06073 9.83671 6.78191 8.34088 numMergedOcc 0
