0 mol 56 unq 0 iso 0 dist 7.59663 8.70353 6.32957 12.528 10.4065 5.07125 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 5.17291 8.1489 9.19822 8.54904 12.6352 9.86664 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 9.58693 6.91361 6.38138 4.54306 11.2061 6.83746 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 9.48388 6.91361 14.5341 4.54306 7.78931 6.83746 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 6.12388 7.8529 9.73815 4.28638 10.2168 9.31005 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 7.31419 5.10248 6.02179 6.4405 5.35237 8.48313 numMergedOcc 0
6 mol 134 unq 1 iso 0 dist 7.31419 5.10248 6.02179 3.64555 8.70621 6.99345 numMergedOcc 0
7 mol 134 unq 2 iso 0 dist 7.31419 5.10248 6.02179 4.78701 10.3432 5.11043 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 8.45117 5.09948 5.05506 4.77306 9.82249 5.48379 numMergedOcc 0
9 mol 170 unq 0 iso 0 dist 7.665 5.42919 5.95519 5.03025 9.08274 5.13268 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 8.68992 5.94881 12.7692 4.61696 11.8153 8.999 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.54454 9.8189 5.16512 3.75201 6.73504 7.32888 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 9.30186 9.34695 17.0241 6.38826 8.1945 9.57955 numMergedOcc 0
13 mol 225 unq 1 iso 0 dist 9.30186 9.34695 17.0241 11.0792 14.7849 8.79277 numMergedOcc 0
14 mol 225 unq 2 iso 0 dist 6.51997 9.34695 9.4364 6.38826 12.0438 9.57955 numMergedOcc 0
15 mol 225 unq 3 iso 0 dist 6.51997 9.34695 9.4364 11.0792 15.0845 8.79277 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 9.48923 5.67652 5.14473 7.5737 11.16 6.42694 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 9.48923 5.67652 5.14473 4.39666 12.52 7.63917 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 9.67544 5.67652 7.7339 7.5737 14.0538 6.42694 numMergedOcc 0
19 mol 229 unq 3 iso 0 dist 9.67544 5.67652 7.7339 4.39666 12.9844 7.63917 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 8.43682 8.43465 6.84156 4.66338 9.19754 6.02757 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 8.43682 8.43465 6.84156 9.41519 13.8802 8.67231 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 6.20796 8.43465 9.37297 4.66338 8.29262 6.02757 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 6.20796 8.43465 9.37297 9.41519 13.4196 8.67231 numMergedOcc 0
