0 mol 19 unq 0 iso 0 dist 8.19695 8.18566 7.46208 7.40236 3.73148 8.43581 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.497 14.3325 9.5053 11.2969 8.58071 9.41425 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.33027 7.52842 6.15801 14.6816 9.92713 9.31883 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.33027 7.52842 6.15801 16.1228 10.6518 9.475 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 9.33027 7.52842 6.15801 13.9745 5.94977 8.34011 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 9.33027 7.52842 6.15801 7.05327 6.35031 6.29842 numMergedOcc 0
6 mol 34 unq 4 iso 0 dist 8.2946 6.51847 6.15801 10.6435 9.92713 9.31883 numMergedOcc 0
7 mol 34 unq 5 iso 0 dist 8.2946 6.51847 6.15801 12.7369 10.6518 9.475 numMergedOcc 0
8 mol 34 unq 6 iso 0 dist 8.2946 6.51847 6.15801 11.2568 5.94977 8.34011 numMergedOcc 0
9 mol 34 unq 7 iso 0 dist 8.2946 6.51847 6.15801 9.29284 6.35031 6.29842 numMergedOcc 0
10 mol 34 unq 8 iso 0 dist 7.32707 7.52842 9.63403 14.6816 15.7295 9.31883 numMergedOcc 0
11 mol 34 unq 9 iso 0 dist 7.32707 7.52842 9.63403 16.1228 16.8534 9.475 numMergedOcc 0
12 mol 34 unq 10 iso 0 dist 7.32707 7.52842 9.63403 13.9745 12.3865 8.34011 numMergedOcc 0
13 mol 34 unq 11 iso 0 dist 7.32707 7.52842 9.63403 7.05327 5.50427 6.29842 numMergedOcc 0
14 mol 34 unq 12 iso 0 dist 9.25346 6.51847 9.63403 10.6435 15.7295 9.31883 numMergedOcc 0
15 mol 34 unq 13 iso 0 dist 9.25346 6.51847 9.63403 12.7369 16.8534 9.475 numMergedOcc 0
16 mol 34 unq 14 iso 0 dist 9.25346 6.51847 9.63403 11.2568 12.3865 8.34011 numMergedOcc 0
17 mol 34 unq 15 iso 0 dist 9.25346 6.51847 9.63403 9.29284 5.50427 6.29842 numMergedOcc 0
18 mol 48 unq 0 iso 0 dist 7.34031 10.2706 7.59316 12.5436 8.98812 5.54554 numMergedOcc 0
19 mol 48 unq 1 iso 0 dist 7.34031 10.2706 7.59316 4.74786 3.50984 6.84514 numMergedOcc 0
20 mol 48 unq 2 iso 0 dist 7.34031 10.2706 7.59316 12.1265 12.69 8.95402 numMergedOcc 0
21 mol 48 unq 3 iso 0 dist 7.281 10.3548 7.51285 12.4892 9.01489 5.5232 numMergedOcc 0
22 mol 48 unq 4 iso 0 dist 7.281 10.3548 7.51285 4.53565 3.65036 7.05619 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 6.05495 13.7907 8.70863 14.9504 11.5785 5.72961 numMergedOcc 0
24 mol 105 unq 0 iso 0 dist 5.03173 6.14305 7.09806 12.6605 9.73765 9.09664 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 9.83981 17.1979 7.42482 11.6024 3.67473 6.4569 numMergedOcc 0
26 mol 114 unq 1 iso 0 dist 6.13559 13.0539 7.42482 8.61909 3.67473 6.4569 numMergedOcc 0
27 mol 114 unq 2 iso 0 dist 6.51395 10.4498 7.42482 9.97296 3.67473 6.4569 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 4.25566 11.1956 9.78667 6.50336 3.80087 8.88454 numMergedOcc 0
29 mol 141 unq 1 iso 0 dist 4.25566 9.65952 8.47026 6.50336 3.80087 9.48581 numMergedOcc 0
30 mol 141 unq 2 iso 0 dist 6.63171 14.6024 9.78667 10.3574 3.80087 8.88454 numMergedOcc 0
31 mol 141 unq 3 iso 0 dist 6.63171 11.3036 8.47026 10.3574 3.80087 9.48581 numMergedOcc 0
32 mol 141 unq 4 iso 0 dist 7.67273 11.2383 9.78667 10.9275 3.80087 8.88454 numMergedOcc 0
33 mol 141 unq 5 iso 0 dist 7.67273 7.19116 8.47026 10.9275 3.80087 9.48581 numMergedOcc 0
34 mol 141 unq 6 iso 0 dist 7.31037 11.1956 6.73983 6.50336 3.80763 8.88454 numMergedOcc 0
35 mol 141 unq 7 iso 0 dist 7.31037 9.65952 8.6387 6.50336 3.80763 9.48581 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 9.30424 7.12863 6.95372 11.6098 6.36052 8.56866 numMergedOcc 0
37 mol 143 unq 1 iso 0 dist 9.30424 7.12863 6.95372 8.08798 4.5497 5.66207 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 6.05323 5.33988 7.46845 8.22067 5.64188 5.22104 numMergedOcc 0
39 mol 175 unq 0 iso 0 dist 8.99988 6.05776 5.60528 12.432 6.03236 6.90373 numMergedOcc 0
40 mol 175 unq 1 iso 0 dist 5.4997 5.95187 5.89564 8.38419 3.6642 6.90373 numMergedOcc 0
41 mol 175 unq 2 iso 0 dist 6.99693 5.95187 5.60528 8.38419 6.03236 6.90373 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 9.86703 4.05564 7.74683 10.1336 8.24055 8.95728 numMergedOcc 0
43 mol 234 unq 0 iso 0 dist 9.25517 6.56378 6.00582 7.35086 3.64991 6.58003 numMergedOcc 0
44 mol 234 unq 1 iso 0 dist 7.22019 5.3976 6.00582 6.81195 3.64991 6.58003 numMergedOcc 0
45 mol 237 unq 0 iso 0 dist 5.98039 9.38038 6.07878 8.33629 4.50383 8.96803 numMergedOcc 0
46 mol 237 unq 1 iso 0 dist 5.98039 9.38038 6.07878 13.7769 11.9967 7.95072 numMergedOcc 0
47 mol 237 unq 2 iso 0 dist 9.48932 9.38038 7.80422 8.33629 9.41259 8.96803 numMergedOcc 0
48 mol 237 unq 3 iso 0 dist 9.48932 9.38038 7.80422 13.7769 9.68512 7.95072 numMergedOcc 0
49 mol 237 unq 4 iso 0 dist 7.55103 5.5902 6.11495 12.7193 5.74428 9.61703 numMergedOcc 0
50 mol 253 unq 0 iso 0 dist 9.58354 14.5407 8.15091 19.9982 10.4961 9.86765 numMergedOcc 0
51 mol 253 unq 1 iso 0 dist 9.58354 14.5407 8.15091 15.0416 5.68255 6.3738 numMergedOcc 0
