0 mol 7 unq 0 iso 0 dist 9.8592 7.91041 9.67498 9.95133 10.0257 8.57437 6.94615 8.88491 8.94586 4.01354 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.96502 5.25196 8.30431 6.01552 8.24748 9.67403 13.4223 10.8154 9.32664 17.1697 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 7.96502 5.25196 8.30431 12.1428 14.4616 7.28917 13.4223 10.8154 9.32664 10.4547 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 7.47105 10.6706 7.50126 16.1333 14.0828 6.85651 13.6474 6.52556 8.70392 14.4497 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 7.47105 10.6706 7.50126 16.9054 11.5586 7.03858 13.6474 6.52556 8.70392 9.26708 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 6.85063 6.69773 9.13646 10.6859 7.75436 8.52428 10.4604 5.19485 9.21191 6.78733 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 9.614 9.24302 8.78709 8.96735 5.53632 4.96259 6.02094 4.38798 5.67112 3.97538 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 9.37257 5.8741 9.68829 14.0853 12.3775 8.56656 12.4614 10.2119 9.28818 9.07051 numMergedOcc 0
8 mol 227 unq 0 iso 0 dist 8.32703 5.55239 5.2851 5.36841 7.27568 6.14732 9.14775 7.15779 8.61546 4.21811 numMergedOcc 0
9 mol 227 unq 1 iso 0 dist 8.32703 5.55239 5.2851 5.36841 7.27568 6.14732 12.4584 6.10844 7.17024 11.032 numMergedOcc 0
10 mol 227 unq 2 iso 0 dist 8.25412 5.34424 5.2851 10.9438 7.27568 6.14732 13.5511 7.15779 8.61546 4.21811 numMergedOcc 0
11 mol 227 unq 3 iso 0 dist 8.25412 5.34424 5.2851 10.9438 7.27568 6.14732 9.45021 6.10844 7.17024 11.032 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 9.44017 13.998 8.81903 17.7905 9.59994 7.52227 14.0991 5.20184 7.88479 7.43437 numMergedOcc 0
13 mol 278 unq 0 iso 0 dist 6.03414 5.49004 8.87405 8.79625 8.84423 6.83278 6.9592 7.3159 8.20933 4.74121 numMergedOcc 0
14 mol 279 unq 0 iso 0 dist 6.85288 11.71 9.98985 12.6323 12.8228 4.75866 10.5467 10.2995 6.12347 4.34346 numMergedOcc 0
15 mol 279 unq 1 iso 0 dist 6.85288 11.71 9.98985 12.6323 12.8228 4.75866 11.1415 5.10287 8.79637 11.8793 numMergedOcc 0
16 mol 279 unq 2 iso 0 dist 6.85288 11.71 9.98985 12.7547 8.51381 7.87072 10.5467 10.2995 6.12347 6.68035 numMergedOcc 0
17 mol 279 unq 3 iso 0 dist 6.85288 11.71 9.98985 12.7547 8.51381 7.87072 11.1415 5.10287 8.79637 4.47851 numMergedOcc 0
