0 mol 11 unq 0 iso 0 dist 5.47299 5.19841 4.79838 12.6523 9.81983 7.5901 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.55284 11.3794 7.02387 12.3426 5.7836 4.70231 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.55284 9.78889 4.74786 12.3426 5.7836 8.13678 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.36877 9.32024 7.02387 11.2238 5.7836 4.70231 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 7.36877 5.52962 4.74786 11.2238 5.7836 8.13678 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 6.89752 5.20585 4.53565 11.0606 5.82264 8.24402 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 6.89752 5.20585 4.53565 8.31475 8.56365 4.40229 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 6.85843 5.20585 6.15814 8.31475 8.74151 4.40229 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 7.94814 9.98618 6.15814 12.4972 8.74151 4.40229 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 9.55632 9.98618 7.70284 12.4972 8.69662 4.40229 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.24708 16.1717 9.03391 9.14473 8.75957 11.5435 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 9.33736 6.06895 8.98478 4.92118 6.41008 8.88332 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.67342 13.9882 5.61151 16.5181 9.13593 5.75469 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 8.60062 13.9882 6.54289 16.5181 8.25144 5.75469 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 8.60062 12.4238 7.52869 16.5181 8.25144 7.66862 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 8.60062 10.5359 9.18945 16.5181 8.25144 11.7978 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 5.73739 10.1326 5.61151 11.9312 9.13593 5.75469 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 5.16225 10.1326 6.54289 11.9312 8.25144 5.75469 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 5.16225 12.2156 7.52869 11.9312 8.25144 7.66862 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 5.16225 13.9131 9.18945 11.9312 8.25144 11.7978 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 4.36944 4.82789 7.46819 5.36591 9.57429 4.61633 numMergedOcc 0
21 mol 101 unq 0 iso 0 dist 7.33426 4.09052 8.35515 4.93063 9.44645 7.83985 numMergedOcc 0
22 mol 101 unq 1 iso 0 dist 8.17175 10.95 8.35515 14.9783 9.44645 7.83985 numMergedOcc 0
23 mol 135 unq 0 iso 0 dist 8.18584 14.1872 9.94534 9.25955 7.02963 11.52 numMergedOcc 0
24 mol 135 unq 1 iso 0 dist 9.85803 11.2681 9.94534 12.4693 7.02963 11.52 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 9.04564 10.2143 8.40257 4.19752 7.20362 6.05893 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 4.93303 7.98763 9.81165 4.79372 6.81516 10.5686 numMergedOcc 0
27 mol 254 unq 0 iso 0 dist 9.83135 9.57602 6.59989 5.80462 9.31434 8.57314 numMergedOcc 0
28 mol 254 unq 1 iso 0 dist 7.40957 4.78931 6.12653 8.65259 9.50951 6.6011 numMergedOcc 0
29 mol 281 unq 0 iso 0 dist 9.39268 5.96808 9.94612 13.4239 6.18742 14.9634 numMergedOcc 0
30 mol 281 unq 1 iso 0 dist 9.06888 12.6605 9.94612 13.4274 6.18742 14.9634 numMergedOcc 0
31 mol 286 unq 0 iso 0 dist 6.89373 5.1655 9.81574 5.70349 9.21276 9.29057 numMergedOcc 0
