0 mol 10 unq 0 iso 0 dist 9.38676 6.39217 9.33141 10.013 3.3748 8.3613 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.85585 10.5497 6.84216 15.132 14.8738 8.68293 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 7.92563 10.077 6.58046 13.0947 13.3327 8.01262 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.78614 5.29315 7.49157 8.61973 4.10458 7.73794 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.61973 5.29315 7.73794 8.78614 4.10458 7.49157 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.20678 4.82658 8.06267 7.55367 3.20411 5.88334 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 7.55367 4.82658 5.88334 8.20678 3.20411 8.06267 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 8.88257 11.0287 6.65615 13.1681 7.57886 9.07128 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 9.72242 10.3652 7.02367 17.2022 10.8127 9.30832 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 7.68837 10.5583 5.39356 18.0381 10.4915 9.92746 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 8.11243 4.9037 6.73617 10.5501 3.6066 9.03544 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 8.97961 4.99603 9.13646 12.8063 9.48187 9.37946 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 8.97961 4.99603 9.13646 5.51907 5.14059 8.34216 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 5.51907 4.99603 8.34216 12.8063 12.9271 9.37946 numMergedOcc 0
14 mol 169 unq 3 iso 0 dist 5.51907 4.99603 8.34216 8.97961 5.14059 9.13646 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 8.15394 12.0322 9.19385 17.6105 11.5519 7.14243 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 8.15394 12.0322 9.19385 17.5871 13.6905 5.77511 numMergedOcc 0
17 mol 253 unq 2 iso 0 dist 8.15394 12.0322 9.19385 19.8433 15.953 7.81382 numMergedOcc 0
18 mol 253 unq 3 iso 0 dist 8.15394 13.1011 9.1927 10.8976 6.8233 8.94786 numMergedOcc 0
19 mol 253 unq 4 iso 0 dist 8.15394 13.1011 9.1927 17.6105 11.5519 9.60694 numMergedOcc 0
20 mol 253 unq 5 iso 0 dist 8.15394 13.1011 9.1927 17.5871 13.6905 9.27311 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.62436 14.1498 8.12739 13.9169 5.57024 6.09853 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 5.99705 10.4422 5.69112 5.04543 3.75238 7.2091 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 5.04543 10.4422 7.2091 5.99705 3.75238 5.69112 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 8.99501 15.3907 7.2091 11.9875 3.75238 5.69112 numMergedOcc 0
25 mol 281 unq 0 iso 0 dist 7.55248 10.9431 5.50053 9.89718 3.77058 7.33334 numMergedOcc 0
26 mol 281 unq 1 iso 0 dist 6.50041 10.9211 5.50053 5.70591 3.77058 7.33334 numMergedOcc 0
27 mol 281 unq 2 iso 0 dist 5.70591 10.9211 7.33334 6.50041 3.77058 5.50053 numMergedOcc 0
