0 mol 9 unq 0 iso 0 dist 9.9919 5.65381 6.3716 7.74667 7.38017 9.00459 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.45034 4.49708 9.33568 13.3556 9.4228 15.8175 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.52295 9.54412 9.97844 11.8286 9.07906 12.2338 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.52295 9.54412 9.97844 12.381 8.75567 4.73635 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.00709 13.255 8.51096 10.3841 7.11686 5.36206 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.00709 13.255 8.51096 12.947 9.43467 9.35698 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.00709 13.255 8.51096 10.3082 8.41018 14.0947 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.70787 9.42024 6.00779 10.9651 5.62694 6.71593 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.27456 15.5947 7.54915 4.49 8.77199 13.8798 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.27456 15.5947 7.54915 5.8457 8.81824 15.5426 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 4.83495 5.24518 4.32161 6.88024 8.99376 8.45559 numMergedOcc 0
11 mol 91 unq 1 iso 0 dist 5.11803 5.24518 7.34465 6.88024 7.37948 8.45559 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 9.10985 5.53105 9.01604 8.29763 9.13454 12.7166 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.13829 6.87017 5.94417 9.32263 8.5457 4.72497 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 9.13829 6.87017 5.94417 9.45514 6.7928 7.00915 numMergedOcc 0
15 mol 120 unq 2 iso 0 dist 9.13829 6.87017 5.94417 11.5746 7.59189 10.878 numMergedOcc 0
16 mol 120 unq 3 iso 0 dist 5.90276 5.23504 5.94417 5.95039 8.5457 4.72497 numMergedOcc 0
17 mol 120 unq 4 iso 0 dist 5.90276 5.23504 5.94417 4.09501 6.7928 7.00915 numMergedOcc 0
18 mol 120 unq 5 iso 0 dist 5.90276 5.23504 5.94417 6.81436 7.59189 10.878 numMergedOcc 0
19 mol 120 unq 6 iso 0 dist 8.565 13.9931 5.94417 14.645 8.5457 4.72497 numMergedOcc 0
20 mol 120 unq 7 iso 0 dist 8.565 13.9931 5.94417 10.2082 6.7928 7.00915 numMergedOcc 0
21 mol 120 unq 8 iso 0 dist 8.565 13.9931 5.94417 6.13307 7.59189 10.878 numMergedOcc 0
22 mol 125 unq 0 iso 0 dist 9.87276 10.3921 8.04452 5.51248 6.72613 4.94914 numMergedOcc 0
23 mol 125 unq 1 iso 0 dist 9.97204 5.36325 8.04452 7.48533 6.72613 4.94914 numMergedOcc 0
24 mol 127 unq 0 iso 0 dist 9.91321 10.7482 7.33646 8.60326 8.82676 13.5588 numMergedOcc 0
25 mol 127 unq 1 iso 0 dist 9.91321 10.7482 7.33646 11.4002 8.17522 11.1351 numMergedOcc 0
26 mol 127 unq 2 iso 0 dist 9.91321 10.7482 7.33646 11.7596 8.14341 6.08871 numMergedOcc 0
27 mol 127 unq 3 iso 0 dist 9.91321 10.7482 7.33646 7.698 6.54744 5.35462 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 6.38964 9.4117 5.71819 10.3584 9.62822 5.12592 numMergedOcc 0
29 mol 206 unq 1 iso 0 dist 6.38964 9.4117 5.71819 5.70669 7.03546 6.57154 numMergedOcc 0
30 mol 206 unq 2 iso 0 dist 6.38964 10.2556 8.48679 10.3584 9.62822 7.40413 numMergedOcc 0
31 mol 206 unq 3 iso 0 dist 6.38964 10.2556 8.48679 5.70669 7.03546 10.8658 numMergedOcc 0
32 mol 206 unq 4 iso 0 dist 6.38964 5.26297 9.86924 5.70669 7.03546 10.814 numMergedOcc 0
33 mol 206 unq 5 iso 0 dist 6.38964 5.26297 9.86924 10.3584 9.62822 13.9485 numMergedOcc 0
34 mol 206 unq 6 iso 0 dist 6.38964 4.58247 7.44186 5.70669 7.03546 9.0689 numMergedOcc 0
35 mol 206 unq 7 iso 0 dist 6.38964 4.58247 7.44186 10.3584 9.62822 14.4501 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 9.05875 11.0048 5.10016 7.65735 7.06087 4.82712 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 6.02521 5.24297 9.27398 4.94196 6.48765 9.38348 numMergedOcc 0
38 mol 219 unq 0 iso 0 dist 8.15287 6.90398 6.65093 5.0241 7.68645 10.0509 numMergedOcc 0
39 mol 219 unq 1 iso 0 dist 8.15287 6.90398 6.65093 4.36122 5.75017 5.48556 numMergedOcc 0
40 mol 219 unq 2 iso 0 dist 8.15287 6.90398 6.65093 14.0703 6.12768 10.9246 numMergedOcc 0
41 mol 219 unq 3 iso 0 dist 8.15287 6.90398 6.65093 13.25 7.19159 13.5876 numMergedOcc 0
42 mol 219 unq 4 iso 0 dist 8.15287 15.4761 9.93514 5.0241 7.68645 11.5979 numMergedOcc 0
43 mol 219 unq 5 iso 0 dist 8.15287 15.4761 9.93514 4.36122 5.75017 14.2005 numMergedOcc 0
44 mol 219 unq 6 iso 0 dist 8.15287 15.4761 9.93514 14.0703 6.12768 10.1098 numMergedOcc 0
45 mol 219 unq 7 iso 0 dist 8.15287 15.4761 9.93514 13.25 7.19159 5.49378 numMergedOcc 0
46 mol 219 unq 8 iso 0 dist 8.72341 14.8716 6.65093 14.1934 7.68645 10.0509 numMergedOcc 0
47 mol 219 unq 9 iso 0 dist 8.72341 14.8716 6.65093 13.288 5.75017 5.48556 numMergedOcc 0
48 mol 219 unq 10 iso 0 dist 8.72341 14.8716 6.65093 4.95329 6.12768 10.9246 numMergedOcc 0
49 mol 219 unq 11 iso 0 dist 8.72341 14.8716 6.65093 4.26247 7.19159 13.5876 numMergedOcc 0
50 mol 219 unq 12 iso 0 dist 8.72341 6.78678 9.93514 14.1934 7.68645 11.5979 numMergedOcc 0
51 mol 219 unq 13 iso 0 dist 8.72341 6.78678 9.93514 13.288 5.75017 14.2005 numMergedOcc 0
52 mol 219 unq 14 iso 0 dist 8.72341 6.78678 9.93514 4.95329 6.12768 10.1098 numMergedOcc 0
53 mol 219 unq 15 iso 0 dist 8.72341 6.78678 9.93514 4.26247 7.19159 5.49378 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 8.71535 3.75614 6.5546 5.44171 9.18589 4.93539 numMergedOcc 0
55 mol 249 unq 0 iso 0 dist 5.68936 6.1946 9.91722 4.24014 7.27415 5.46654 numMergedOcc 0
56 mol 251 unq 0 iso 0 dist 6.32455 12.1353 8.63134 12.3975 9.207 15.4745 numMergedOcc 0
57 mol 283 unq 0 iso 0 dist 7.81415 12.3631 5.7378 11.0354 8.25636 5.91336 numMergedOcc 0
58 mol 283 unq 1 iso 0 dist 7.81415 5.49773 7.15632 11.0354 8.25636 12.4228 numMergedOcc 0
