0 mol 24 unq 0 iso 0 dist 7.84552 10.0962 7.18124 8.3964 3.4435 7.85986 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.84552 8.56474 6.47026 13.4394 9.4199 7.03544 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.84552 8.56474 6.47026 8.3964 3.4435 4.30252 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.22018 7.31044 5.83263 10.3526 10.029 8.21895 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.96872 9.99421 8.87977 8.83135 6.64001 6.46549 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.70907 9.6722 6.9447 7.13064 5.39918 5.56839 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.70907 9.6722 6.9447 7.8962 9.73503 7.83506 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 9.91644 9.93441 6.9447 11.4445 5.39918 5.56839 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 9.91644 9.93441 6.9447 13.7 9.73503 7.83506 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.56199 6.3119 7.02043 13.4653 7.7998 7.84546 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 9.07685 5.34159 9.56702 8.07946 6.03833 7.20362 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 7.80955 7.86779 9.67872 9.31025 8.06906 5.67088 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 7.80955 7.86779 9.67872 13.7906 11.3156 9.61332 numMergedOcc 0
13 mol 162 unq 2 iso 0 dist 6.66396 12.3596 9.67872 13.2072 8.06906 5.67088 numMergedOcc 0
14 mol 162 unq 3 iso 0 dist 6.66396 12.3596 9.67872 16.5793 11.3156 9.61332 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 5.67457 4.75805 6.03495 4.88303 4.53585 5.12964 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.39604 9.54597 9.64977 17.2229 15.9388 9.31569 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.39604 9.54597 9.64977 10.2739 4.04186 8.72743 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 9.49617 13.1148 8.42716 17.215 9.6084 5.59832 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 9.49617 13.1148 8.42716 6.23057 3.5693 9.17562 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 9.15508 3.50159 8.42716 5.63477 9.6084 5.59832 numMergedOcc 0
21 mol 205 unq 3 iso 0 dist 9.15508 3.50159 8.42716 10.395 3.5693 9.17562 numMergedOcc 0
22 mol 205 unq 4 iso 0 dist 8.54088 11.2784 9.66947 10.395 6.29383 6.81516 numMergedOcc 0
23 mol 205 unq 5 iso 0 dist 8.54088 3.50159 5.69652 5.63477 8.16279 5.59832 numMergedOcc 0
24 mol 205 unq 6 iso 0 dist 8.54088 3.50159 5.69652 10.395 6.29383 9.17562 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 7.7033 6.4179 5.3772 8.51736 3.63667 8.31526 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 7.7033 11.4354 7.59138 8.51736 3.63667 7.08328 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.71214 9.08224 9.97939 16.4703 12.4081 8.58427 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 8.71214 9.08224 9.97939 16.4703 12.4081 8.58427 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 8.71214 9.08224 9.97939 16.4703 12.4081 8.58427 numMergedOcc 0
