0 mol 19 unq 0 iso 0 dist 6.79758 12.9465 9.3147 4.48525 9.79426 17.1338 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.79758 4.48525 9.79426 12.9465 9.3147 17.1338 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.99483 8.09374 8.13653 9.98121 5.44539 4.57786 numMergedOcc 0
3 mol 54 unq 0 iso 1 dist 9.99483 9.98121 5.44539 8.09374 8.13653 4.57786 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 9.26301 12.5962 5.31281 17.733 8.9922 5.67339 numMergedOcc 0
5 mol 114 unq 0 iso 1 dist 9.26301 17.733 8.9922 12.5962 5.31281 5.67339 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.9205 5.23471 8.50054 10.647 7.47653 5.90718 numMergedOcc 0
7 mol 130 unq 0 iso 1 dist 9.9205 10.647 7.47653 5.23471 8.50054 5.90718 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 9.9205 5.23471 8.50054 13.6393 8.97124 8.99904 numMergedOcc 0
9 mol 130 unq 1 iso 1 dist 9.9205 13.6393 8.97124 5.23471 8.50054 8.99904 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 9.9205 10.647 7.47653 13.6393 8.97124 4.80422 numMergedOcc 0
11 mol 130 unq 1 iso 1 dist 9.9205 13.6393 8.97124 10.647 7.47653 4.80422 numMergedOcc 0
12 mol 211 unq 0 iso 0 dist 8.63677 14.0337 9.8921 6.35096 8.50841 8.59334 numMergedOcc 0
13 mol 211 unq 0 iso 1 dist 8.63677 6.35096 8.50841 14.0337 9.8921 8.59334 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.67902 13.4896 9.81136 8.50143 7.25293 9.46821 numMergedOcc 0
15 mol 214 unq 0 iso 1 dist 8.67902 8.50143 7.25293 13.4896 9.81136 9.46821 numMergedOcc 0
16 mol 245 unq 0 iso 0 dist 5.70624 4.84566 7.26913 11.4898 6.41862 10.9806 numMergedOcc 0
17 mol 245 unq 0 iso 1 dist 5.70624 11.4898 6.41862 4.84566 7.26913 10.9806 numMergedOcc 0
18 mol 245 unq 1 iso 0 dist 5.70624 4.84566 7.26913 13.484 8.69377 12.3319 numMergedOcc 0
19 mol 245 unq 1 iso 1 dist 5.70624 13.484 8.69377 4.84566 7.26913 12.3319 numMergedOcc 0
20 mol 245 unq 1 iso 0 dist 5.70624 11.4898 6.41862 13.484 8.69377 6.22658 numMergedOcc 0
21 mol 245 unq 1 iso 1 dist 5.70624 13.484 8.69377 11.4898 6.41862 6.22658 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 8.21137 7.6558 6.18866 11.1949 9.3807 5.2966 numMergedOcc 0
23 mol 249 unq 0 iso 1 dist 8.21137 11.1949 9.3807 7.6558 6.18866 5.2966 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 9.72665 4.80106 9.98985 5.29536 7.22295 8.47795 numMergedOcc 0
25 mol 279 unq 0 iso 1 dist 9.72665 5.29536 7.22295 4.80106 9.98985 8.47795 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 7.47103 5.35253 8.63954 4.91258 4.74716 6.55738 numMergedOcc 0
27 mol 285 unq 0 iso 1 dist 7.47103 4.91258 4.74716 5.35253 8.63954 6.55738 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 4.9851 4.21241 8.70702 11.6648 9.43706 14.1636 numMergedOcc 0
29 mol 285 unq 1 iso 1 dist 4.9851 11.6648 9.43706 4.21241 8.70702 14.1636 numMergedOcc 0
30 mol 285 unq 2 iso 0 dist 4.9851 4.21241 8.70702 10.4106 9.3482 14.0317 numMergedOcc 0
31 mol 285 unq 2 iso 1 dist 4.9851 10.4106 9.3482 4.21241 8.70702 14.0317 numMergedOcc 0
32 mol 285 unq 2 iso 0 dist 4.9851 11.6648 9.43706 10.4106 9.3482 16.6298 numMergedOcc 0
33 mol 285 unq 2 iso 1 dist 4.9851 10.4106 9.3482 11.6648 9.43706 16.6298 numMergedOcc 0
