0 mol 7 unq 0 iso 0 dist 6.81066 9.68596 14.3521 9.87885 8.80913 10.1841 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.07553 8.60554 11.3314 8.09311 6.32709 15.4445 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.07553 8.60554 11.3314 9.05357 11.6058 11.8971 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.07553 8.44664 7.262 8.09311 6.32709 3.84336 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.07553 8.44664 7.262 9.05357 11.6058 7.01276 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.07553 9.44691 13.1723 8.09311 6.32709 13.0295 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.07553 9.44691 13.1723 9.05357 11.6058 4.02219 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.48457 8.60554 3.4435 8.09311 13.862 15.4445 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.48457 8.60554 3.4435 9.05357 9.94168 11.8971 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 6.48457 8.44664 12.7748 8.09311 13.862 3.84336 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 6.48457 8.44664 12.7748 9.05357 9.94168 7.01276 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 6.48457 9.44691 7.63657 8.09311 13.862 13.0295 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 6.48457 9.44691 7.63657 9.05357 9.94168 4.02219 numMergedOcc 0
13 mol 62 unq 0 iso 0 dist 9.854 7.56205 6.71999 9.69044 10.4612 4.09232 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 7.09757 7.26024 3.72006 6.17207 6.88888 3.85627 numMergedOcc 0
15 mol 68 unq 1 iso 0 dist 7.09757 6.36086 5.2359 6.17207 6.88888 7.15683 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 4.69674 9.27838 11.7291 7.12321 6.75732 14.005 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 8.81824 7.54568 13.2941 7.7068 9.85117 4.93735 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.69401 7.80975 8.86956 9.90751 13.8686 15.0328 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 7.69401 7.80975 8.86956 9.21662 15.1364 12.48 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 6.92671 7.80975 11.7384 9.90751 3.50258 15.0328 numMergedOcc 0
21 mol 100 unq 3 iso 0 dist 6.92671 7.80975 11.7384 9.21662 6.13237 12.48 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 5.94552 8.8822 13.1665 8.80934 10.0317 7.1951 numMergedOcc 0
23 mol 113 unq 1 iso 0 dist 5.94552 9.66219 12.3067 8.80934 10.0317 3.84573 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 6.52446 6.46461 7.51286 6.41689 6.78984 3.87512 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 5.72735 9.67741 9.40319 7.20495 6.09401 5.43662 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 5.72735 9.67741 9.40319 9.2289 6.15234 8.91275 numMergedOcc 0
27 mol 167 unq 2 iso 0 dist 5.72735 9.67741 9.40319 7.02548 5.75062 5.95858 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 6.62757 9.39352 11.3992 9.63417 13.041 6.43397 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 9.36354 9.39352 9.28375 9.63417 5.71279 6.43397 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 6.02579 7.76163 7.65999 7.05695 4.4877 3.78314 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 7.23959 6.03688 9.6084 6.52816 5.19623 5.28417 numMergedOcc 0
32 mol 219 unq 0 iso 0 dist 7.68645 7.59632 10.8057 4.33238 6.08582 5.75906 numMergedOcc 0
