0 mol 4 unq 0 iso 0 dist 6.22303 5.13908 8.7041 7.53929 6.82441 6.34563 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.8592 7.91041 9.67498 9.95133 10.0257 8.57437 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.48775 16.5806 8.99402 17.51 8.20812 7.99404 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.96502 5.25196 8.30431 6.01552 8.24748 9.67403 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 7.96502 5.25196 8.30431 12.1428 14.4616 7.28917 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 7.96502 6.97911 4.628 12.9321 9.53688 9.82315 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.98532 5.38868 8.67865 8.03407 8.6267 6.78043 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.98532 5.38868 8.67865 6.39759 4.68995 5.74364 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 8.98532 5.80362 8.40148 6.39759 4.68995 8.60026 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.88956 10.7167 7.57822 15.1532 10.1806 8.9889 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 6.88956 10.7167 7.57822 4.9418 4.36597 6.67575 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 7.47105 5.33627 5.12189 10.7186 5.57746 5.68599 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 7.47105 10.6706 7.50126 16.1333 14.0828 6.85651 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 7.47105 10.6706 7.50126 16.9054 11.5586 7.03858 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.3097 11.948 8.56593 8.47476 3.56357 6.32669 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 6.85063 6.69773 9.13646 10.6859 7.75436 8.52428 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 6.4413 13.2694 9.71692 19.514 14.778 9.22427 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 6.62609 13.3379 9.73708 19.8023 14.922 9.32504 numMergedOcc 0
18 mol 151 unq 0 iso 0 dist 8.54771 4.76145 8.40442 10.4755 12.2991 5.89907 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.614 9.24302 8.78709 8.96735 5.53632 4.96259 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 9.37257 5.8741 9.68829 14.0853 12.3775 8.56656 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 6.3687 12.3798 7.20862 13.0464 6.92911 8.10096 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 8.32703 5.55239 5.2851 5.36841 7.27568 6.14732 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 8.25412 5.34424 5.2851 10.9438 7.27568 6.14732 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 7.16232 10.121 9.174 12.4569 6.70277 8.15897 numMergedOcc 0
25 mol 245 unq 0 iso 0 dist 8.03294 13.9182 6.41862 12.0582 6.62389 8.91609 numMergedOcc 0
26 mol 245 unq 1 iso 0 dist 8.03294 13.9182 6.41862 11.0831 5.43086 6.58637 numMergedOcc 0
27 mol 245 unq 2 iso 0 dist 8.03294 13.8285 8.69377 11.0831 5.43086 5.48167 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.44017 13.998 8.81903 17.7905 9.59994 7.52227 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 6.03414 5.49004 8.87405 8.79625 8.84423 6.83278 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 6.85288 11.71 9.98985 12.6323 12.8228 4.75866 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 6.85288 11.71 9.98985 12.7547 8.51381 7.87072 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 8.64546 16.0615 9.05509 21.4417 13.0497 8.01368 numMergedOcc 0
33 mol 280 unq 1 iso 0 dist 3.97964 10.5502 9.05509 15.467 13.0497 8.01368 numMergedOcc 0
