0 mol 16 unq 0 iso 0 dist 6.04965 5.8404 4.86568 10.7158 5.39064 8.4361 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.32791 5.28404 4.7319 11.7799 5.70228 8.59049 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.75381 5.50193 4.7319 9.51752 5.40044 6.28033 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.46842 13.3513 7.57578 12.4023 4.96681 9.22151 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.46842 14.4516 7.17969 12.4023 4.96681 6.22122 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 9.07927 6.44262 7.31767 9.59151 10.747 6.23095 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 8.50987 6.44262 6.03987 9.59151 11.5983 6.23095 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 8.52979 14.6092 7.34143 21.6055 13.9113 7.70026 numMergedOcc 0
8 mol 52 unq 1 iso 0 dist 9.6112 9.99897 7.34143 14.9329 10.3287 5.26018 numMergedOcc 0
9 mol 52 unq 2 iso 0 dist 9.6112 9.99897 7.34143 7.62062 6.03647 7.1203 numMergedOcc 0
10 mol 52 unq 3 iso 0 dist 6.08894 6.01116 7.34143 10.0047 10.3287 5.26018 numMergedOcc 0
11 mol 52 unq 4 iso 0 dist 6.08894 6.01116 7.34143 7.33436 6.03647 7.1203 numMergedOcc 0
12 mol 52 unq 5 iso 0 dist 9.02308 4.98024 7.34143 5.77748 10.3287 5.26018 numMergedOcc 0
13 mol 52 unq 6 iso 0 dist 9.02308 4.98024 7.34143 10.9458 6.03647 7.1203 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 8.46313 9.46304 6.72123 12.3585 11.9897 9.70415 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 5.97144 6.12361 6.7212 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.02792 6.20162 6.56369 5.72842 7.68675 5.70279 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 5.79411 6.03768 7.36792 7.58293 5.09542 9.84673 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 9.34456 4.83846 5.86073 8.60424 7.41343 9.08014 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 6.3982 5.29965 5.11551 8.98702 5.47689 6.55511 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 13.9732 5.21051 7.0318 numMergedOcc 0
21 mol 142 unq 0 iso 0 dist 6.91573 7.18287 5.31024 12.2385 6.3846 9.14908 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 6.03801 8.61343 5.16813 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 9.68636 10.705 8.22528 7.68999 5.65373 8.8557 numMergedOcc 0
24 mol 229 unq 1 iso 0 dist 9.68636 5.6419 7.03423 7.68999 5.65373 5.00457 numMergedOcc 0
25 mol 229 unq 2 iso 0 dist 7.81415 5.6419 9.06952 7.68999 6.23084 5.00457 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.94587 4.3284 6.57393 9.8444 5.33697 6.06422 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.09166 6.74773 6.22714 11.3921 7.45873 4.87108 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.09166 6.74773 6.22714 10.2453 5.17954 6.54455 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 9.09166 9.48707 7.31233 11.3921 7.45873 7.64276 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 9.73858 7.43079 6.16342 12.9987 4.77446 6.83046 numMergedOcc 0
31 mol 253 unq 0 iso 0 dist 5.27188 5.34337 7.32223 9.4691 9.23512 7.26981 numMergedOcc 0
32 mol 253 unq 1 iso 0 dist 5.27188 5.34337 7.32223 13.6574 12.3948 9.02643 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 15.3481 5.70285 8.9706 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 9.82685 4.33194 9.17653 10.1237 12.3593 6.8902 numMergedOcc 0
35 mol 276 unq 0 iso 0 dist 6.97104 5.58984 6.87396 5.16952 6.33662 8.79189 numMergedOcc 0
36 mol 276 unq 1 iso 0 dist 8.63281 6.58819 6.87396 5.04414 6.33662 8.79189 numMergedOcc 0
