0 mol 20 unq 0 iso 0 dist 8.45034 13.3556 9.4228 11.7719 7.3057 6.09764 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.45034 13.3556 9.4228 14.8847 13.0142 9.20198 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.10646 4.91484 8.8018 7.42669 13.3658 9.52474 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 7.95705 10.4607 8.8018 14.1556 13.3658 9.52474 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 7.9399 4.47138 9.854 8.2746 6.71999 7.56205 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.27456 4.49 8.77199 10.4828 4.58085 9.82915 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 9.27456 5.8457 8.81824 12.8003 13.2941 7.54568 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.10397 3.89035 6.92671 11.0235 11.7384 7.80975 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.29634 5.3154 6.16081 9.34823 6.65893 6.73586 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 4.80778 13.46 8.75049 9.58772 5.21958 5.87634 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.58803 13.7612 8.75049 9.04845 5.21958 5.87634 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 9.96967 12.9605 8.75049 7.94325 5.21958 5.87634 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 6.31523 4.64588 8.75049 6.72323 5.21958 5.87634 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 6.00793 8.66436 5.72735 15.1236 9.40319 9.67741 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.49856 4.27736 6.62757 13.6335 11.3992 9.39352 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.34835 10.176 9.28036 13.6157 7.69228 7.66165 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 6.38964 5.70669 7.03546 8.15381 6.97126 8.07687 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 6.02521 4.94196 6.48765 9.68811 6.53702 6.1951 numMergedOcc 0
18 mol 219 unq 0 iso 0 dist 8.15287 5.0241 7.68645 7.13099 10.8057 7.59632 numMergedOcc 0
19 mol 219 unq 1 iso 0 dist 8.72341 14.1934 7.68645 18.7961 10.8057 7.59632 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 8.71535 5.44171 9.18589 9.19443 14.0878 6.30154 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 8.71535 5.44171 9.18589 12.5134 11.7131 7.32499 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 6.32455 12.3975 9.207 11.7846 7.33882 8.68707 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 6.46774 7.602 8.2179 11.0563 10.3547 6.71375 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 6.08044 9.67708 9.29241 9.86625 5.41757 6.89451 numMergedOcc 0
25 mol 287 unq 1 iso 0 dist 8.8956 15.5716 9.29241 14.0991 5.41757 6.89451 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 6.08044 9.67708 9.29241 9.86625 5.41757 6.89451 numMergedOcc 0
27 mol 288 unq 1 iso 0 dist 8.8956 15.5716 9.29241 14.0991 5.41757 6.89451 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 6.08044 9.67708 9.29241 9.86625 5.41757 6.89451 numMergedOcc 0
29 mol 289 unq 1 iso 0 dist 8.8956 15.5716 9.29241 14.0991 5.41757 6.89451 numMergedOcc 0
