0 mol 19 unq 0 iso 0 dist 6.8824 8.75001 4.51869 7.84393 10.38 12.48 9.01721 14.2971 17.1733 7.82074 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.33492 8.75001 14.2304 7.84393 6.01189 12.48 9.01721 8.18518 17.1733 7.82074 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.58581 7.69637 12.3628 6.85331 6.88453 9.1927 9.20254 13.0211 12.0295 6.86014 numMergedOcc 0
3 mol 132 unq 0 iso 0 dist 7.73306 6.94745 8.91031 6.495 11.6877 5.28089 10.0823 17.544 11.9102 7.7059 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 7.4963 8.8353 5.25819 9.89098 11.9436 16.1558 8.96845 15.7632 17.7988 9.91388 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 7.78154 6.87456 4.58639 5.30872 7.64386 8.03483 6.3915 12.5183 12.5106 5.99315 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 5.9183 6.87456 7.75087 5.30872 5.11989 8.03483 6.3915 7.5984 12.5106 5.99315 numMergedOcc 0
7 mol 143 unq 2 iso 0 dist 5.9183 5.40826 6.57809 7.5984 6.3915 9.02772 5.11989 5.30872 9.35213 5.99315 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 8.22267 8.27913 9.4786 9.36307 4.85077 8.27268 9.72559 12.503 10.8493 9.31746 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 8.37469 9.89039 13.8056 8.9077 16.7786 13.6952 10.6943 18.2396 15.6403 9.23153 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 8.37469 9.89039 13.8056 8.9077 16.7786 13.6952 15.396 22.7748 21.5268 8.24498 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 8.37469 8.57174 6.77956 8.9077 16.7786 13.8822 10.6943 18.2396 18.2814 9.23153 numMergedOcc 0
12 mol 220 unq 3 iso 0 dist 8.37469 8.57174 6.77956 8.9077 16.7786 13.8822 15.396 22.7748 19.4468 8.24498 numMergedOcc 0
13 mol 223 unq 0 iso 0 dist 9.03969 6.97426 12.4791 9.94212 10.6103 15.9255 11.4946 10.5187 18.1661 8.77153 numMergedOcc 0
14 mol 223 unq 1 iso 0 dist 9.03969 6.97426 12.4791 9.94212 10.6103 15.9255 13.1422 16.5225 19.8848 8.6166 numMergedOcc 0
15 mol 223 unq 2 iso 0 dist 9.03969 8.87456 16.4578 9.94212 10.6103 17.7343 11.4946 10.5187 20.1459 8.77153 numMergedOcc 0
16 mol 223 unq 3 iso 0 dist 9.03969 8.87456 16.4578 9.94212 10.6103 17.7343 13.1422 16.5225 20.15 8.6166 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 5.22312 7.48693 4.88762 8.0007 6.44004 8.75723 5.29674 9.87839 12.494 9.87838 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 6.88553 9.76967 13.219 9.26066 6.07005 18.1328 12.5899 10.6192 21.2961 6.53701 numMergedOcc 0
