0 mol 24 unq 0 iso 0 dist 8.70827 6.6219 4.04519 8.23075 12.2271 10.1923 13.0224 8.67426 12.1643 17.0382 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.70827 6.6219 4.04519 4.7841 12.6431 9.92483 13.0224 8.67426 12.1643 17.1482 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.70827 5.68215 13.7009 8.23075 12.2271 9.24731 13.0224 8.67426 18.6775 17.0382 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.70827 5.68215 13.7009 4.7841 12.6431 3.53396 13.0224 8.67426 18.6775 17.1482 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.8822 8.80934 7.1951 7.02367 5.40648 3.52445 15.3211 7.40338 9.06319 9.75234 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 8.8822 8.80934 7.1951 9.30832 15.5674 10.4701 15.3211 7.40338 9.06319 19.5144 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 9.66219 8.80934 3.84573 7.02367 3.52111 3.52445 13.0914 5.35711 4.30875 7.02358 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 9.66219 8.80934 3.84573 7.02367 3.52111 3.52445 15.3211 6.23759 9.06319 9.75234 numMergedOcc 0
8 mol 113 unq 4 iso 0 dist 9.66219 8.80934 3.84573 9.30832 13.7232 10.4701 13.0914 5.35711 4.30875 13.6813 numMergedOcc 0
9 mol 113 unq 5 iso 0 dist 9.66219 8.80934 3.84573 9.30832 13.7232 10.4701 15.3211 6.23759 9.06319 19.5144 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 7.44629 6.02086 4.02702 8.92592 5.71136 3.5168 12.7437 6.12453 8.21227 8.89343 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 7.44629 6.02086 4.02702 8.92592 5.71136 3.5168 14.4866 9.87447 11.0485 12.6485 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 7.44629 6.02086 4.02702 9.57452 5.46307 5.43054 12.7437 6.12453 8.21227 9.52186 numMergedOcc 0
13 mol 168 unq 3 iso 0 dist 7.44629 6.02086 4.02702 9.57452 5.46307 5.43054 14.4866 9.87447 11.0485 14.0933 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 6.42735 8.97589 3.7949 9.84566 5.05856 6.68311 5.03539 7.02762 9.72476 11.2966 numMergedOcc 0
15 mol 184 unq 1 iso 0 dist 6.42735 8.97589 3.7949 8.22001 5.69882 3.88698 5.03539 7.02762 9.72476 8.53111 numMergedOcc 0
16 mol 184 unq 2 iso 0 dist 6.42735 5.96423 4.67256 9.84566 5.05856 9.71065 5.03539 7.02762 5.23187 11.2966 numMergedOcc 0
17 mol 184 unq 3 iso 0 dist 6.42735 5.96423 4.67256 8.22001 5.69882 3.30691 5.03539 7.02762 5.23187 8.53111 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 4.8668 6.49765 9.86388 9.31158 9.43113 6.49396 7.35363 7.75318 13.7245 16.1183 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 7.37798 8.21793 8.75651 8.82761 15.5804 14.4808 4.71943 9.34602 12.7691 8.24178 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 7.73322 8.21793 8.99471 8.82761 6.78109 14.4808 4.67313 8.59946 9.02881 9.71831 numMergedOcc 0
21 mol 213 unq 2 iso 0 dist 8.14332 8.22569 6.60887 9.09354 13.1121 10.3403 7.49785 8.59946 13.1965 14.9013 numMergedOcc 0
22 mol 213 unq 3 iso 0 dist 8.14332 8.22569 6.60887 4.66576 6.78109 5.45331 7.49785 8.59946 13.1965 9.71831 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 3.65199 9.25759 4.93516 4.68668 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 3.65199 9.25759 4.93516 4.68668 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.65934 7.45616 5.97664 5.30118 5.39801 3.66473 3.65199 9.25759 4.93516 4.68668 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 7.07965 7.20674 13.8094 6.69619 8.31265 8.76061 7.22011 5.91617 13.6757 11.8025 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 7.07965 7.20674 13.8094 4.49592 5.06937 9.42231 7.22011 5.91617 13.6757 8.07775 numMergedOcc 0
28 mol 292 unq 2 iso 0 dist 7.07965 8.38121 13.8468 6.69619 8.31265 12.1704 7.22011 5.91617 14.0481 11.8025 numMergedOcc 0
29 mol 292 unq 3 iso 0 dist 7.07965 8.38121 13.8468 4.49592 5.06937 11.9106 7.22011 5.91617 14.0481 8.07775 numMergedOcc 0
