0 mol 56 unq 0 iso 0 dist 9.78177 10.8062 6.91393 14.4015 5.07125 8.12964 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.78177 5.59813 8.40038 14.4015 5.07125 11.6453 numMergedOcc 0
2 mol 56 unq 2 iso 0 dist 7.03635 8.3373 6.91393 4.67834 5.07125 8.12964 numMergedOcc 0
3 mol 56 unq 3 iso 0 dist 7.03635 10.2023 8.40038 4.67834 5.07125 11.6453 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.39494 9.06936 8.58543 6.02262 7.69861 5.24993 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.16531 4.55916 5.51624 6.38065 7.8435 4.97727 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 8.16531 4.55916 5.51624 9.63231 5.99269 5.77343 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 8.16531 4.55916 5.51624 13.1685 5.71763 11.0802 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 8.16531 15.9068 7.8674 6.38065 7.8435 13.8087 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 8.16531 15.9068 7.8674 9.63231 5.99269 9.96831 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 8.16531 15.9068 7.8674 13.1685 5.71763 5.33894 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 8.98593 13.8162 5.51624 16.5618 7.8435 4.97727 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 8.98593 13.8162 5.51624 14.6083 5.99269 5.77343 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 8.98593 13.8162 5.51624 4.18667 5.71763 11.0802 numMergedOcc 0
14 mol 93 unq 9 iso 0 dist 8.98593 8.93352 7.8674 16.5618 7.8435 13.8087 numMergedOcc 0
15 mol 93 unq 10 iso 0 dist 8.98593 8.93352 7.8674 14.6083 5.99269 9.96831 numMergedOcc 0
16 mol 93 unq 11 iso 0 dist 8.98593 8.93352 7.8674 4.18667 5.71763 5.33894 numMergedOcc 0
17 mol 105 unq 0 iso 0 dist 8.5972 10.7812 8.44437 6.79366 7.44838 9.02856 numMergedOcc 0
18 mol 105 unq 1 iso 0 dist 7.29506 6.50376 8.44437 4.59356 7.44838 9.02856 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.02258 10.8234 8.26172 3.60945 6.77921 10.2834 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.3516 7.96634 8.60521 9.91319 7.1069 10.6183 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 9.3516 5.35395 6.39031 9.91319 7.1069 4.71678 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 7.00443 11.9449 9.14458 7.59527 9.82982 17.2648 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 5.14185 9.27839 9.75627 5.35456 8.999 6.1593 numMergedOcc 0
24 mol 176 unq 0 iso 0 dist 7.89418 15.1919 8.5865 5.42667 9.79338 14.8261 numMergedOcc 0
25 mol 176 unq 1 iso 0 dist 9.96034 8.70092 8.5865 19.5127 9.79338 14.8261 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 5.8679 11.3148 9.06334 5.66276 8.04838 7.92114 numMergedOcc 0
27 mol 237 unq 0 iso 0 dist 7.61091 12.7836 9.84466 11.9278 8.7414 9.39277 numMergedOcc 0
28 mol 237 unq 1 iso 0 dist 7.61091 12.1471 6.16557 11.9278 8.7414 5.1975 numMergedOcc 0
29 mol 237 unq 2 iso 0 dist 7.61091 6.31546 5.4813 11.9278 8.7414 5.69816 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 7.78686 15.9371 9.60364 10.3335 7.22664 8.9822 numMergedOcc 0
31 mol 250 unq 1 iso 0 dist 7.78686 15.9371 9.60364 6.0168 7.15762 11.5018 numMergedOcc 0
32 mol 260 unq 0 iso 0 dist 7.30709 4.75467 8.3149 14.0954 9.65775 13.067 numMergedOcc 0
33 mol 260 unq 1 iso 0 dist 7.30709 4.75467 8.3149 4.58993 9.50634 5.38958 numMergedOcc 0
