0 mol 17 unq 0 iso 0 dist 9.23243 13.6284 9.26171 11.0915 8.70761 3.47257 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 9.23243 11.0915 8.70761 13.6284 9.26171 3.47257 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 8.7812 7.58687 8.65986 5.14626 9.39462 3.39356 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 8.7812 5.14626 9.39462 7.58687 8.65986 3.39356 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 6.29578 7.58687 9.74724 5.14626 9.13347 3.39356 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 6.29578 5.14626 9.13347 7.58687 9.74724 3.39356 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.6738 10.3017 8.46167 10.3632 6.13175 5.7147 numMergedOcc 0
7 mol 113 unq 0 iso 1 dist 5.6738 10.3632 6.13175 10.3017 8.46167 5.7147 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 5.6738 10.3017 8.46167 9.86085 4.34107 8.09465 numMergedOcc 0
9 mol 113 unq 1 iso 1 dist 5.6738 9.86085 4.34107 10.3017 8.46167 8.09465 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 5.6738 10.3632 6.13175 9.86085 4.34107 3.74304 numMergedOcc 0
11 mol 113 unq 1 iso 1 dist 5.6738 9.86085 4.34107 10.3632 6.13175 3.74304 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 8.8413 5.04742 8.20345 11.4019 5.38148 8.77423 numMergedOcc 0
13 mol 123 unq 0 iso 1 dist 8.8413 11.4019 5.38148 5.04742 8.20345 8.77423 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 7.82124 5.02162 8.20345 8.90549 5.38148 8.77423 numMergedOcc 0
15 mol 123 unq 1 iso 1 dist 7.82124 8.90549 5.38148 5.02162 8.20345 8.77423 numMergedOcc 0
16 mol 135 unq 0 iso 0 dist 9.53367 13.4186 7.74087 4.70352 8.53533 9.60019 numMergedOcc 0
17 mol 135 unq 0 iso 1 dist 9.53367 4.70352 8.53533 13.4186 7.74087 9.60019 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 6.47837 6.5732 9.39809 4.14139 8.38775 5.23644 numMergedOcc 0
19 mol 169 unq 0 iso 1 dist 6.47837 4.14139 8.38775 6.5732 9.39809 5.23644 numMergedOcc 0
20 mol 176 unq 0 iso 0 dist 8.27087 7.69131 5.60333 5.25264 5.58647 3.17744 numMergedOcc 0
21 mol 176 unq 0 iso 1 dist 8.27087 5.25264 5.58647 7.69131 5.60333 3.17744 numMergedOcc 0
22 mol 176 unq 1 iso 0 dist 8.27087 7.69131 5.60333 9.38629 8.5733 5.47761 numMergedOcc 0
23 mol 176 unq 1 iso 1 dist 8.27087 9.38629 8.5733 7.69131 5.60333 5.47761 numMergedOcc 0
24 mol 176 unq 1 iso 0 dist 8.27087 5.25264 5.58647 9.38629 8.5733 4.75543 numMergedOcc 0
25 mol 176 unq 1 iso 1 dist 8.27087 9.38629 8.5733 5.25264 5.58647 4.75543 numMergedOcc 0
26 mol 176 unq 2 iso 0 dist 7.71329 4.53563 5.60333 3.97245 5.58647 3.17744 numMergedOcc 0
27 mol 176 unq 2 iso 1 dist 7.71329 3.97245 5.58647 4.53563 5.60333 3.17744 numMergedOcc 0
28 mol 176 unq 3 iso 0 dist 7.71329 4.53563 5.60333 7.9617 8.5733 5.47761 numMergedOcc 0
29 mol 176 unq 3 iso 1 dist 7.71329 7.9617 8.5733 4.53563 5.60333 5.47761 numMergedOcc 0
30 mol 176 unq 3 iso 0 dist 7.71329 3.97245 5.58647 7.9617 8.5733 4.75543 numMergedOcc 0
31 mol 176 unq 3 iso 1 dist 7.71329 7.9617 8.5733 3.97245 5.58647 4.75543 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 6.35413 13.5506 8.46558 12.7091 9.96417 10.3113 numMergedOcc 0
33 mol 230 unq 0 iso 1 dist 6.35413 12.7091 9.96417 13.5506 8.46558 10.3113 numMergedOcc 0
34 mol 230 unq 1 iso 0 dist 6.35413 13.5506 8.46558 11.621 9.28671 13.2396 numMergedOcc 0
35 mol 230 unq 1 iso 1 dist 6.35413 11.621 9.28671 13.5506 8.46558 13.2396 numMergedOcc 0
36 mol 230 unq 1 iso 0 dist 6.35413 12.7091 9.96417 11.621 9.28671 5.64621 numMergedOcc 0
37 mol 230 unq 1 iso 1 dist 6.35413 11.621 9.28671 12.7091 9.96417 5.64621 numMergedOcc 0
38 mol 236 unq 0 iso 0 dist 7.08055 4.01942 8.69082 11.0805 8.2521 11.7483 numMergedOcc 0
39 mol 236 unq 0 iso 1 dist 7.08055 11.0805 8.2521 4.01942 8.69082 11.7483 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 8.93788 8.51059 8.53393 7.79913 7.24165 3.00605 numMergedOcc 0
41 mol 266 unq 0 iso 1 dist 8.93788 7.79913 7.24165 8.51059 8.53393 3.00605 numMergedOcc 0
