0 mol 7 unq 0 iso 0 dist 6.81066 9.68596 14.3521 9.0379 11.8206 6.7985 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.80484 8.64915 12.643 10.5747 18.214 7.32257 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.80484 8.64915 12.643 5.06358 13.8353 6.55811 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 9.80484 8.17347 11.2964 5.06358 13.8353 7.36018 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 6.50337 7.75618 5.46754 7.67038 10.7864 8.40416 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 6.10339 8.40416 8.6996 7.67038 10.8897 7.75618 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 7.16149 7.51452 3.61632 16.5895 11.571 9.20198 numMergedOcc 0
7 mol 20 unq 1 iso 0 dist 9.4228 9.20198 13.0142 16.5895 18.1591 7.51452 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.07553 8.60554 11.3314 14.6259 18.0802 8.4051 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.07553 8.60554 11.3314 10.0952 10.0889 7.29868 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.07553 9.44691 13.1723 14.6259 18.0802 8.75662 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 8.80127 8.4051 3.4435 15.5315 9.11809 7.29868 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 8.80127 8.4051 3.4435 14.6259 6.48457 8.60554 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 8.80127 8.75662 7.63657 14.6259 6.48457 9.44691 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 6.48457 8.60554 3.4435 14.6259 8.80127 8.4051 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 6.48457 8.60554 3.4435 10.0952 9.11809 7.29868 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 6.48457 9.44691 7.63657 14.6259 8.80127 8.75662 numMergedOcc 0
17 mol 62 unq 0 iso 0 dist 9.854 7.56205 6.71999 8.62608 9.1216 4.74544 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 8.81824 7.54568 13.2941 10.1164 13.821 9.39864 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 7.98814 7.10378 5.53567 10.8586 9.06726 7.80975 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 7.69401 7.80975 8.86956 10.8586 15.2628 7.10378 numMergedOcc 0
21 mol 100 unq 2 iso 0 dist 6.92671 7.80975 11.7384 10.8586 13.3653 7.10378 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 7.13306 7.7949 3.76328 15.1532 13.2293 9.72053 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 8.75049 5.87634 5.21958 7.81217 10.6168 6.16242 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 6.02579 7.76163 7.65999 14.5862 15.1675 8.73217 numMergedOcc 0
25 mol 196 unq 0 iso 0 dist 6.11835 6.86319 3.68546 10.2747 10.0099 6.70531 numMergedOcc 0
26 mol 196 unq 1 iso 0 dist 9.93668 6.86319 6.56216 10.2747 12.4765 6.70531 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 9.73419 6.16414 7.87274 5.63422 6.11803 7.75885 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 6.11803 7.75885 7.87274 5.63422 9.73419 6.16414 numMergedOcc 0
29 mol 206 unq 2 iso 0 dist 9.99824 6.16414 6.55611 5.63422 13.6535 7.75885 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 6.40086 6.02296 5.78036 4.39704 9.68793 7.43071 numMergedOcc 0
31 mol 231 unq 0 iso 0 dist 7.31553 6.98875 6.90849 4.06055 10.1674 6.54852 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 5.77089 6.62841 7.27472 8.29447 11.5093 8.00673 numMergedOcc 0
