0 mol 8 unq 0 iso 0 dist 6.82379 7.92414 10.9776 5.7531 7.12263 12.3159 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 7.92414 10.9776 11.0223 5.00267 15.9672 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 7.23962 9.92283 16.3997 6.89221 9.74569 15.1418 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 8.56342 6.37542 8.77578 3.78311 8.03035 7.6968 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 6.37542 8.56342 8.77578 3.78311 7.6968 8.03035 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 6.92648 8.71039 8.59447 11.5688 7.76594 14.2709 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 8.41611 7.63338 7.96704 10.8441 5.73236 13.3045 numMergedOcc 0
7 mol 143 unq 1 iso 0 dist 8.41611 9.03707 11.1397 10.8441 5.73236 13.3584 numMergedOcc 0
8 mol 143 unq 2 iso 0 dist 8.41611 7.25673 10.7886 10.8441 5.73236 15.0441 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 9.43259 6.2319 4.10961 10.7023 5.90883 8.06913 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 6.2319 9.43259 4.10961 5.71107 4.9941 9.01812 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 6.2319 9.43259 4.10961 10.7023 8.06913 5.90883 numMergedOcc 0
12 mol 156 unq 3 iso 0 dist 7.73169 5.38091 11.9157 5.82636 4.9941 8.06913 numMergedOcc 0
13 mol 156 unq 4 iso 0 dist 5.38091 7.73169 11.9157 6.44255 5.90883 9.01812 numMergedOcc 0
14 mol 156 unq 5 iso 0 dist 5.38091 7.73169 11.9157 5.82636 8.06913 4.9941 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 5.4969 6.4318 5.84099 4.24624 7.32419 8.31961 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 5.4969 7.35824 8.63478 4.24624 7.32419 11.3531 numMergedOcc 0
17 mol 175 unq 2 iso 0 dist 5.4969 9.17364 13.3054 4.24624 7.32419 11.7939 numMergedOcc 0
18 mol 175 unq 3 iso 0 dist 6.4318 5.4969 5.84099 4.24624 8.31961 7.32419 numMergedOcc 0
19 mol 175 unq 4 iso 0 dist 6.4318 7.35824 6.77843 4.24624 8.31961 11.3531 numMergedOcc 0
20 mol 175 unq 5 iso 0 dist 6.4318 9.17364 10.0636 4.24624 8.31961 11.7939 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.85302 9.98215 7.61858 9.97575 7.55358 7.60991 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 6.85302 9.98215 7.61858 7.92653 8.87818 10.1828 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 9.98215 6.85302 7.61858 9.97575 7.60991 7.55358 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 9.83476 6.258 13.2879 6.87725 8.12349 12.7425 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 6.29367 8.86175 11.2353 6.90702 8.93185 15.6565 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 8.86175 6.29367 11.2353 9.46742 9.06334 14.6187 numMergedOcc 0
27 mol 218 unq 2 iso 0 dist 5.76954 8.06216 6.73047 10.4526 8.93185 14.651 numMergedOcc 0
28 mol 218 unq 3 iso 0 dist 5.76954 6.29511 11.2353 10.4526 8.93185 15.6565 numMergedOcc 0
29 mol 218 unq 4 iso 0 dist 6.29511 8.06216 12.255 11.438 9.06334 18.917 numMergedOcc 0
30 mol 218 unq 5 iso 0 dist 6.29511 5.76954 11.2353 11.438 9.06334 14.6187 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 6.53679 6.11473 6.75213 6.28227 8.55481 11.8525 numMergedOcc 0
32 mol 252 unq 1 iso 0 dist 6.53679 8.47784 12.9718 6.28227 8.55481 14.1617 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 7.99477 7.86627 7.46428 5.27959 6.47194 10.472 numMergedOcc 0
