0 mol 54 unq 0 iso 0 dist 9.5915 8.34361 14.8102 14.9943 15.7062 9.57335 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.5915 8.34361 14.8102 11.5332 11.3153 8.60653 numMergedOcc 0
2 mol 74 unq 0 iso 0 dist 9.3664 8.46495 5.19847 11.3868 6.49521 5.65212 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.74131 6.96066 12.7438 4.22631 11.6275 4.3247 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.59503 4.98783 13.8441 4.1125 7.7913 6.48163 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.61119 4.98783 14.4048 4.1125 10.8438 6.48163 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.84249 9.28645 4.59061 6.62328 6.09626 7.03339 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 8.80041 4.69926 4.90426 6.84415 11.5045 6.87196 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 7.10223 8.5081 5.55349 9.10645 5.60184 5.76862 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 7.10223 8.5081 5.55349 4.02111 7.08477 5.92763 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.75249 9.13184 6.8863 6.11369 9.54106 8.32841 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 9.75249 9.13184 6.8863 8.26792 10.2555 6.00295 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 9.75249 7.27593 7.61274 4.33572 11.178 6.10069 numMergedOcc 0
13 mol 156 unq 3 iso 0 dist 9.75249 7.27593 7.61274 6.11369 9.54106 6.56065 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.50603 9.32658 17.1224 4.7671 14.2577 7.64707 numMergedOcc 0
15 mol 185 unq 0 iso 0 dist 9.52252 7.55408 12.984 12.6211 20.1889 8.94849 numMergedOcc 0
16 mol 185 unq 1 iso 0 dist 9.56016 7.55408 8.59489 12.6211 12.9878 8.94849 numMergedOcc 0
17 mol 185 unq 2 iso 0 dist 7.92501 8.38127 8.59489 5.9439 12.9878 8.94849 numMergedOcc 0
18 mol 185 unq 3 iso 0 dist 8.27418 8.38127 4.29924 5.9439 10.8015 8.94849 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 9.06304 7.44436 9.31629 4.73615 9.73592 8.76329 numMergedOcc 0
20 mol 233 unq 1 iso 0 dist 9.06304 7.44436 9.31629 7.68189 13.6808 9.91906 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 5.06669 8.19381 8.71894 4.38246 8.08939 5.60146 numMergedOcc 0
22 mol 244 unq 1 iso 0 dist 5.06669 7.35657 5.36127 4.38246 8.08939 9.80249 numMergedOcc 0
23 mol 244 unq 2 iso 0 dist 5.65248 8.19381 8.52699 4.38246 7.33574 5.60146 numMergedOcc 0
24 mol 244 unq 3 iso 0 dist 5.65248 7.35657 11.2736 4.38246 7.33574 9.80249 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 7.14598 8.88264 4.19031 12.1216 12.4604 9.31961 numMergedOcc 0
26 mol 257 unq 0 iso 0 dist 8.23739 9.27027 5.26034 12.4553 11.5844 6.8256 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.35169 7.40069 4.41308 9.58852 6.68863 9.55425 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 7.7557 7.40069 5.43452 9.58852 14.0338 9.55425 numMergedOcc 0
