0 mol 26 unq 0 iso 0 dist 8.54885 7.37634 14.5663 6.21692 12.4915 7.26165 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.15015 8.15347 9.57664 5.06613 10.6133 5.80534 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 3.68549 8.15347 6.61952 5.06613 5.5814 5.80534 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 6.67213 7.01107 4.63184 4.48244 10.2361 8.49879 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.27156 8.32519 5.9487 8.33049 8.1599 6.35779 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.9651 7.51631 10.9724 9.04231 14.0352 5.57551 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.27307 5.38363 8.67853 11.5849 11.4076 9.56859 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 8.27307 5.38363 8.67853 5.10938 5.47319 5.75135 numMergedOcc 0
8 mol 69 unq 2 iso 0 dist 6.92837 5.38363 10.8149 11.5849 17.4028 9.56859 numMergedOcc 0
9 mol 69 unq 3 iso 0 dist 6.92837 5.38363 10.8149 5.10938 9.8809 5.75135 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 8.30653 9.87737 5.78087 6.11801 10.7471 9.79317 numMergedOcc 0
11 mol 70 unq 1 iso 0 dist 8.30653 6.7303 6.10128 6.11801 10.7471 7.69436 numMergedOcc 0
12 mol 70 unq 2 iso 0 dist 8.63742 7.34645 3.80229 3.99657 10.1951 7.69436 numMergedOcc 0
13 mol 70 unq 3 iso 0 dist 6.91739 9.87737 6.64078 6.11801 10.1951 9.79317 numMergedOcc 0
14 mol 70 unq 4 iso 0 dist 6.91739 6.7303 3.80229 6.11801 10.1951 7.69436 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 9.96446 4.96173 11.3522 5.27016 8.4545 7.29864 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 9.96446 4.96173 11.3522 8.99211 17.3351 6.04223 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 6.70686 4.96173 10.0591 5.27016 7.01176 7.29864 numMergedOcc 0
18 mol 92 unq 3 iso 0 dist 6.70686 4.96173 10.0591 8.99211 15.3509 6.04223 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 7.2443 6.36631 6.54263 8.77924 13.2795 7.96893 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 9.18398 9.86241 5.99377 12.2901 10.6242 8.50194 numMergedOcc 0
21 mol 116 unq 1 iso 0 dist 9.18398 9.86241 5.99377 5.08735 10.531 8.24233 numMergedOcc 0
22 mol 128 unq 0 iso 0 dist 8.3127 4.26814 4.48309 3.56535 8.01677 5.38983 numMergedOcc 0
23 mol 128 unq 1 iso 0 dist 8.3127 4.26814 4.48309 9.33619 10.903 8.46801 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 6.28961 7.07933 5.38859 14.3008 11.0485 7.33643 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.43611 6.26596 4.15355 12.2386 10.961 9.68612 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 5.60236 5.49475 4.67058 6.15704 9.49136 9.82099 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 9.03917 7.8548 4.67058 7.64186 9.49136 9.82099 numMergedOcc 0
28 mol 235 unq 2 iso 0 dist 6.56775 7.8548 10.28 7.64186 10.127 9.82099 numMergedOcc 0
29 mol 235 unq 3 iso 0 dist 6.45574 8.28824 4.75609 9.7911 8.48065 8.1174 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 8.82778 9.0495 4.61469 12.0443 6.44212 5.17335 numMergedOcc 0
31 mol 241 unq 0 iso 0 dist 6.90245 7.65636 4.07839 3.92006 9.10633 8.49869 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 8.49415 5.44039 7.71667 8.73438 9.772 5.8898 numMergedOcc 0
33 mol 285 unq 0 iso 0 dist 6.44657 5.93983 8.33646 9.78456 12.0919 6.73396 numMergedOcc 0
