0 mol 16 unq 0 iso 0 dist 9.76968 4.2139 6.31718 8.8641 6.92781 5.05803 6.44253 10.6491 5.72175 8.17898 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 5.48395 6.31718 12.9591 10.8455 7.63133 10.143 10.8592 5.66097 7.46752 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 14.4535 10.0952 6.86014 15.446 10.4452 9.20254 6.85331 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 11.0671 5.4148 9.96396 14.9482 10.4766 12.8388 5.79954 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 11.0671 5.4148 9.96396 17.0347 10.997 15.0744 7.01889 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 13.3494 11.5723 7.88312 5.58465 7.44784 7.64822 9.56867 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 9.35695 9.56867 7.64822 7.44784 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 11.703 9.56867 7.64822 7.44784 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 10.0998 7.30196 8.14887 5.88232 8.62711 10.345 6.65963 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.3894 13.0836 9.52634 10.2159 6.69554 9.91388 11.6406 13.5771 8.96845 9.89098 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.3894 13.0836 9.52634 14.8299 7.6656 7.24514 17.1193 10.7939 5.38237 7.15203 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 9.60411 5.49782 6.37586 10.6313 10.738 9.52819 5.67862 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 14.0674 8.80819 6.49416 10.6313 10.738 9.52819 7.97208 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 9.60411 5.49782 9.71307 10.6313 10.738 12.4156 5.67862 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 9.60411 10.5108 6.37586 14.0674 5.00817 6.49416 10.6313 5.67862 9.52819 7.97208 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 12.1043 5.49782 6.37586 15.363 10.738 9.52819 5.67862 numMergedOcc 0
16 mol 134 unq 5 iso 0 dist 9.55556 11.9294 8.94367 16.0579 8.80819 6.49416 15.363 10.738 9.52819 7.97208 numMergedOcc 0
17 mol 134 unq 6 iso 0 dist 9.55556 6.36794 9.86662 12.1043 5.49782 9.71307 15.363 10.738 12.4156 5.67862 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 14.4684 5.63422 9.774 20.2824 11.1422 13.609 7.10166 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 9.36079 13.6173 7.7366 14.4684 5.63422 9.774 14.0235 10.4092 12.0196 9.66896 numMergedOcc 0
20 mol 206 unq 2 iso 0 dist 7.42904 9.96254 7.7366 12.7047 5.63422 9.774 18.5085 11.1422 13.609 7.10166 numMergedOcc 0
21 mol 206 unq 3 iso 0 dist 7.42904 9.96254 7.7366 12.7047 5.63422 9.774 12.3868 10.4092 12.0196 9.66896 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 9.05929 14.7998 8.35971 6.0905 10.8312 5.27568 6.73134 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 8.90987 5.26654 8.03456 11.2664 7.28249 9.81562 7.84468 9.97357 8.3919 6.36941 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 8.90987 3.82437 6.84306 11.2664 7.28249 7.68742 7.84468 9.97357 4.88785 6.36941 numMergedOcc 0
25 mol 236 unq 3 iso 0 dist 8.90987 13.8124 9.99038 11.2664 7.28249 6.27581 7.84468 9.97357 10.2557 6.36941 numMergedOcc 0
26 mol 236 unq 4 iso 0 dist 5.66569 11.2013 9.99038 13.3367 10.7497 8.35971 11.094 11.2195 5.27568 6.73134 numMergedOcc 0
27 mol 236 unq 5 iso 0 dist 6.11137 15.1664 9.99038 15.4718 10.7497 8.35971 15.2251 11.2195 5.27568 6.73134 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.54857 15.3806 7.46176 14.0139 6.96053 7.88519 13.2213 11.1532 12.7595 6.96379 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 9.73983 7.00201 8.45658 11.7215 11.3146 13.3163 8.50313 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 8.65236 4.49913 9.14619 9.73983 7.00201 8.45658 13.4973 13.063 13.6041 7.6414 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 9.96394 11.5918 8.33638 13.3211 5.40809 8.46116 12.1122 4.78812 5.27123 6.62923 numMergedOcc 0
