0 mol 61 unq 0 iso 0 dist 8.46313 3.88133 7.52103 12.1397 8.46556 8.61908 numMergedOcc 0
1 mol 61 unq 0 iso 1 dist 8.46313 12.1397 8.46556 3.88133 7.52103 8.61908 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.74289 10.1479 8.04256 3.95228 7.51075 10.9344 numMergedOcc 0
3 mol 68 unq 0 iso 1 dist 9.74289 3.95228 7.51075 10.1479 8.04256 10.9344 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.28058 7.70943 8.06168 3.98918 8.67532 11.1443 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 7.28058 3.98918 8.67532 7.70943 8.06168 11.1443 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.79714 3.80683 9.71952 6.77296 7.28257 3.94577 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 9.79714 6.77296 7.28257 3.80683 9.71952 3.94577 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.17291 4.73724 8.09199 3.98395 7.47794 8.17321 numMergedOcc 0
9 mol 76 unq 1 iso 1 dist 5.17291 3.98395 7.47794 4.73724 8.09199 8.17321 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 8.81569 12.5763 8.09199 10.3277 7.47794 8.17321 numMergedOcc 0
11 mol 76 unq 2 iso 1 dist 8.81569 10.3277 7.47794 12.5763 8.09199 8.17321 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 8.364 8.01469 9.44078 4.93451 5.9179 5.37245 numMergedOcc 0
13 mol 90 unq 0 iso 1 dist 8.364 4.93451 5.9179 8.01469 9.44078 5.37245 numMergedOcc 0
14 mol 90 unq 1 iso 0 dist 7.37255 6.21918 9.44078 5.41685 5.9179 5.37245 numMergedOcc 0
15 mol 90 unq 1 iso 1 dist 7.37255 5.41685 5.9179 6.21918 9.44078 5.37245 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 3.47603 8.90977 5.70541 numMergedOcc 0
17 mol 117 unq 0 iso 1 dist 8.98848 3.47603 8.90977 4.82309 6.90827 5.70541 numMergedOcc 0
18 mol 180 unq 0 iso 0 dist 7.24785 16.5686 9.88732 11.9699 5.77949 5.33436 numMergedOcc 0
19 mol 180 unq 0 iso 1 dist 7.24785 11.9699 5.77949 16.5686 9.88732 5.33436 numMergedOcc 0
20 mol 180 unq 1 iso 0 dist 7.24785 16.5686 9.88732 14.8912 8.68403 6.10537 numMergedOcc 0
21 mol 180 unq 1 iso 1 dist 7.24785 14.8912 8.68403 16.5686 9.88732 6.10537 numMergedOcc 0
22 mol 180 unq 2 iso 0 dist 7.24785 16.5686 9.88732 4.80648 5.80441 12.986 numMergedOcc 0
23 mol 180 unq 2 iso 1 dist 7.24785 4.80648 5.80441 16.5686 9.88732 12.986 numMergedOcc 0
24 mol 180 unq 1 iso 0 dist 7.24785 11.9699 5.77949 14.8912 8.68403 3.984 numMergedOcc 0
25 mol 180 unq 1 iso 1 dist 7.24785 14.8912 8.68403 11.9699 5.77949 3.984 numMergedOcc 0
26 mol 180 unq 2 iso 0 dist 7.24785 11.9699 5.77949 4.80648 5.80441 8.49238 numMergedOcc 0
27 mol 180 unq 2 iso 1 dist 7.24785 4.80648 5.80441 11.9699 5.77949 8.49238 numMergedOcc 0
28 mol 180 unq 2 iso 0 dist 7.24785 14.8912 8.68403 4.80648 5.80441 11.8501 numMergedOcc 0
29 mol 180 unq 2 iso 1 dist 7.24785 4.80648 5.80441 14.8912 8.68403 11.8501 numMergedOcc 0
30 mol 180 unq 3 iso 0 dist 7.53287 15.4961 9.88732 10.2233 5.77949 5.33436 numMergedOcc 0
31 mol 180 unq 3 iso 1 dist 7.53287 10.2233 5.77949 15.4961 9.88732 5.33436 numMergedOcc 0
32 mol 180 unq 4 iso 0 dist 7.53287 15.4961 9.88732 12.1751 8.68403 6.10537 numMergedOcc 0
33 mol 180 unq 4 iso 1 dist 7.53287 12.1751 8.68403 15.4961 9.88732 6.10537 numMergedOcc 0
34 mol 180 unq 5 iso 0 dist 7.53287 15.4961 9.88732 5.28726 5.80441 12.986 numMergedOcc 0
35 mol 180 unq 5 iso 1 dist 7.53287 5.28726 5.80441 15.4961 9.88732 12.986 numMergedOcc 0
36 mol 180 unq 4 iso 0 dist 7.53287 10.2233 5.77949 12.1751 8.68403 3.984 numMergedOcc 0
37 mol 180 unq 4 iso 1 dist 7.53287 12.1751 8.68403 10.2233 5.77949 3.984 numMergedOcc 0
38 mol 180 unq 5 iso 0 dist 7.53287 10.2233 5.77949 5.28726 5.80441 8.49238 numMergedOcc 0
39 mol 180 unq 5 iso 1 dist 7.53287 5.28726 5.80441 10.2233 5.77949 8.49238 numMergedOcc 0
40 mol 180 unq 5 iso 0 dist 7.53287 12.1751 8.68403 5.28726 5.80441 11.8501 numMergedOcc 0
41 mol 180 unq 5 iso 1 dist 7.53287 5.28726 5.80441 12.1751 8.68403 11.8501 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 5.24733 5.36829 13.4632 numMergedOcc 0
43 mol 214 unq 0 iso 1 dist 9.33638 5.24733 5.36829 16.7561 9.51764 13.4632 numMergedOcc 0
44 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 6.09778 8.94023 4.32316 numMergedOcc 0
45 mol 249 unq 0 iso 1 dist 9.14351 6.09778 8.94023 8.05633 6.37672 4.32316 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 9.75753 12.1288 5.89502 15.7857 7.15815 7.05365 numMergedOcc 0
47 mol 253 unq 0 iso 1 dist 9.75753 15.7857 7.15815 12.1288 5.89502 7.05365 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 5.22392 11.3025 9.77689 4.1574 8.51931 13.7559 numMergedOcc 0
49 mol 277 unq 0 iso 1 dist 5.22392 4.1574 8.51931 11.3025 9.77689 13.7559 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 7.29148 4.34283 9.6898 11.1098 5.75596 13.4368 numMergedOcc 0
51 mol 292 unq 0 iso 1 dist 7.29148 11.1098 5.75596 4.34283 9.6898 13.4368 numMergedOcc 0
52 mol 292 unq 1 iso 0 dist 6.87804 12.1872 9.20416 12.2904 7.53641 10.0257 numMergedOcc 0
53 mol 292 unq 1 iso 1 dist 6.87804 12.2904 7.53641 12.1872 9.20416 10.0257 numMergedOcc 0
54 mol 292 unq 2 iso 0 dist 6.07571 11.4534 9.20416 4.49811 7.53641 10.0257 numMergedOcc 0
55 mol 292 unq 2 iso 1 dist 6.07571 4.49811 7.53641 11.4534 9.20416 10.0257 numMergedOcc 0
