0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 7.78327 13.5229 3.54153 5.13353 11.659 9.68006 10.1124 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.51865 6.41423 4.64838 7.7312 4.44441 5.31883 5.80928 8.4674 6.41575 10.1278 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.864 6.41423 4.97119 7.7312 10.0411 5.31883 5.80928 4.54938 6.41575 10.1278 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 7.49157 8.66248 14.1137 15.5315 15.5324 8.4051 22.0117 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 7.49157 8.66248 14.1137 10.0952 8.86116 8.60554 14.9512 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 7.73794 6.73521 13.4584 15.5315 15.5324 8.4051 21.4647 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 7.73794 6.73521 13.4584 10.0952 8.86116 8.60554 12.1131 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 5.54419 8.70827 5.59311 8.23075 6.7846 12.2271 12.3067 7.36323 9.12854 10.551 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 5.54419 8.70827 5.59311 4.7841 8.03955 12.6431 12.3067 7.36323 9.12854 14.1707 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 5.54419 6.73939 12.176 8.23075 6.7846 12.2839 11.4989 15.5324 9.41441 16.3188 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 5.54419 6.73939 12.176 4.7841 8.03955 6.22954 11.4989 15.5324 9.41441 12.0986 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 7.31767 8.6653 5.64303 7.03372 7.23535 10.3493 10.6808 12.4135 7.92503 13.2158 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 6.03987 8.6653 5.82503 7.03372 9.92243 10.3493 10.6808 11.6743 7.92503 13.2158 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 9.23438 4.59417 8.76454 5.30792 6.62496 5.93884 9.9105 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 6.86465 9.92355 5.78774 9.23438 4.59417 8.76454 5.35073 6.35756 7.68678 7.17488 numMergedOcc 0
15 mol 58 unq 2 iso 0 dist 6.35756 7.68678 5.78774 7.17488 4.59417 8.76454 5.35073 6.86465 9.92355 9.23438 numMergedOcc 0
16 mol 58 unq 3 iso 0 dist 6.35756 7.68678 5.78774 7.17488 4.59417 8.76454 4.81926 6.62496 5.93884 9.9105 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 8.04242 5.76272 13.5973 10.1164 15.309 9.39864 17.4114 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.19965 7.54568 8.09967 8.04242 8.18948 13.5973 10.1164 11.2656 9.39864 17.4114 numMergedOcc 0
19 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 8.04242 14.113 13.5973 10.1164 5.73196 9.39864 17.4114 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 5.39945 6.97707 5.31484 4.76974 4.18693 8.16155 10.5564 11.4095 6.92026 13.9164 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 5.39945 6.97707 5.31484 4.76974 4.18693 8.16155 5.67807 6.90986 5.88249 9.28256 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 5.39945 6.97707 5.31484 8.0336 7.41059 11.4853 10.5564 11.4095 6.92026 17.4534 numMergedOcc 0
23 mol 115 unq 3 iso 0 dist 5.39945 6.97707 5.31484 8.0336 7.41059 11.4853 5.67807 6.90986 5.88249 12.9131 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 5.92733 6.00473 3.88766 8.38345 14.387 8.78276 8.81797 numMergedOcc 0
25 mol 130 unq 1 iso 0 dist 9.28393 7.96646 6.73735 5.92733 6.00473 3.88766 10.0969 14.2551 7.88805 9.81269 numMergedOcc 0
26 mol 130 unq 2 iso 0 dist 9.28393 7.96646 6.73735 5.92733 6.00473 3.88766 10.7116 12.2375 7.90048 10.8305 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 8.02137 7.75885 12.7604 6.23183 8.20841 9.36584 5.63422 11.1804 6.16414 4.51255 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 7.7366 6.16414 6.45859 4.51255 7.83734 9.36584 5.63422 9.774 7.75885 6.23183 numMergedOcc 0
29 mol 206 unq 2 iso 0 dist 9.774 7.75885 6.45859 6.23183 7.83734 9.36584 5.63422 7.7366 6.16414 4.51255 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 5.4638 9.55668 7.60081 8.08965 4.75609 6.82702 9.89669 11.3258 6.95126 12.2745 numMergedOcc 0
