0 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 11.0528 9.88835 5.89412 10.2811 6.46681 5.69755 8.4014 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 6.41575 4.64838 5.80928 4.51865 6.41423 10.1278 4.44441 5.31883 7.7312 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 6.41575 4.97119 5.80928 6.864 6.41423 10.1278 10.0411 5.31883 7.7312 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 7.82074 6.41575 6.01808 5.80928 11.0366 6.41423 10.1278 10.9814 5.31883 7.7312 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 16.3188 13.7992 12.2839 8.23075 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 12.0986 8.92779 6.22954 4.7841 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 14.9512 8.66248 14.1137 7.49157 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 12.1131 6.73521 13.4584 7.73794 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 16.3188 13.2846 12.2839 8.23075 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 12.0986 12.3897 6.22954 4.7841 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 14.9512 13.6644 14.1137 7.49157 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 12.1131 10.2883 13.4584 7.73794 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 22.0117 17.01 14.1137 7.49157 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 21.4647 17.0408 13.4584 7.73794 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 22.0117 26.8216 14.1137 7.49157 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 21.4647 25.2858 13.4584 7.73794 numMergedOcc 0
16 mol 24 unq 12 iso 0 dist 7.36323 9.12854 5.59311 12.3067 5.54419 8.70827 10.551 6.7846 12.2271 8.23075 numMergedOcc 0
17 mol 24 unq 13 iso 0 dist 7.36323 9.12854 5.59311 12.3067 5.54419 8.70827 14.1707 8.03955 12.6431 4.7841 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 7.57578 7.92503 6.11127 10.6808 13.7311 8.6653 13.2158 13.8191 10.3493 7.03372 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 7.17969 7.92503 5.30154 10.6808 12.9968 8.6653 13.2158 15.1436 10.3493 7.03372 numMergedOcc 0
20 mol 58 unq 0 iso 0 dist 6.86465 9.92355 5.78774 5.35073 6.35756 7.68678 9.23438 4.59417 8.76454 7.17488 numMergedOcc 0
21 mol 58 unq 1 iso 0 dist 6.62496 5.93884 5.78774 5.30792 6.86465 9.92355 9.9105 4.59417 8.76454 9.23438 numMergedOcc 0
22 mol 58 unq 2 iso 0 dist 6.62496 5.93884 5.78774 4.81926 6.35756 7.68678 9.9105 4.59417 8.76454 7.17488 numMergedOcc 0
23 mol 58 unq 3 iso 0 dist 6.35756 7.68678 5.78774 5.35073 6.86465 9.92355 7.17488 4.59417 8.76454 9.23438 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 5.73196 9.39864 4.65335 10.1164 7.66905 7.54568 17.4114 14.113 13.5973 8.04242 numMergedOcc 0
25 mol 115 unq 0 iso 0 dist 5.11551 6.92026 6.77806 10.5564 11.8863 6.97707 13.9164 14.1439 8.16155 4.76974 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 5.11551 6.92026 6.77806 10.5564 11.8863 6.97707 17.4534 17.6658 11.4853 8.0336 numMergedOcc 0
27 mol 115 unq 2 iso 0 dist 7.11972 5.88249 6.77806 5.67807 11.8863 6.97707 9.28256 14.1439 8.16155 4.76974 numMergedOcc 0
28 mol 115 unq 3 iso 0 dist 7.11972 5.88249 6.77806 5.67807 11.8863 6.97707 12.9131 17.6658 11.4853 8.0336 numMergedOcc 0
29 mol 115 unq 4 iso 0 dist 6.90986 5.88249 5.31484 5.67807 5.39945 6.97707 9.28256 4.18693 8.16155 4.76974 numMergedOcc 0
30 mol 115 unq 5 iso 0 dist 6.90986 5.88249 5.31484 5.67807 5.39945 6.97707 12.9131 7.41059 11.4853 8.0336 numMergedOcc 0
31 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 8.38345 14.387 8.78276 5.92733 6.00473 3.88766 8.81797 numMergedOcc 0
32 mol 130 unq 1 iso 0 dist 9.28393 7.96646 6.73735 10.0969 14.2551 7.88805 5.92733 6.00473 3.88766 9.81269 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 6.01247 9.94371 6.22122 11.8368 11.618 13.4378 9.70481 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 8.03334 6.2479 7.81713 6.01247 10.9639 6.22122 11.8368 19.3579 13.4378 9.70481 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 5.98885 7.99195 6.6251 12.6324 9.94371 6.22122 15.9184 11.618 13.4378 9.70481 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 9.09537 7.99195 10.09 12.6324 16.2058 6.22122 15.9184 21.3999 13.4378 9.70481 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 7.54065 8.73217 11.7429 14.5862 16.3985 7.76163 14.4322 16.5618 5.70845 6.93931 numMergedOcc 0
38 mol 206 unq 0 iso 0 dist 8.02137 7.75885 12.7604 5.63422 11.1804 6.16414 6.23183 8.20841 9.36584 4.51255 numMergedOcc 0
39 mol 206 unq 1 iso 0 dist 7.7366 6.16414 6.45859 5.63422 9.774 7.75885 4.51255 7.83734 9.36584 6.23183 numMergedOcc 0
40 mol 206 unq 2 iso 0 dist 9.774 7.75885 6.45859 5.63422 7.7366 6.16414 6.23183 7.83734 9.36584 4.51255 numMergedOcc 0
41 mol 278 unq 0 iso 0 dist 8.44326 8.00673 4.97614 8.29447 10.6095 6.62841 13.0065 14.1347 10.5492 5.35705 numMergedOcc 0
