0 mol 11 unq 0 iso 0 dist 9.64228 9.76481 11.2277 8.85204 4.69897 14.2436 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.90473 4.9737 5.81765 7.65918 9.64848 5.54542 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.27156 9.51503 10.0059 8.32519 5.9487 4.32751 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.9651 8.44761 10.0743 7.51631 10.9724 3.56619 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 5.9651 6.81124 6.20057 7.51631 10.9724 6.23171 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 8.30653 5.76805 10.8634 9.87737 5.78087 10.0384 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 8.30653 5.76805 10.8634 6.7303 6.10128 6.36433 numMergedOcc 0
7 mol 70 unq 2 iso 0 dist 8.63742 5.40928 4.98521 7.34645 3.80229 6.36433 numMergedOcc 0
8 mol 70 unq 3 iso 0 dist 6.91739 5.76805 4.98521 9.87737 6.64078 10.0384 numMergedOcc 0
9 mol 70 unq 4 iso 0 dist 6.91739 5.76805 4.98521 6.7303 3.80229 6.36433 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.96446 6.15011 8.70803 4.96173 11.3522 3.79182 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 6.70686 6.15011 8.87994 4.96173 10.0591 3.79182 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 7.90775 8.4204 13.3662 8.6356 7.82258 15.3665 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.49531 8.4204 6.71199 8.6356 12.6805 15.3665 numMergedOcc 0
14 mol 96 unq 0 iso 0 dist 6.21351 5.19438 5.04559 6.93203 6.08084 6.53944 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 8.86938 8.65004 11.8396 6.79584 4.69658 7.45152 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 8.86938 9.86487 18.0868 6.79584 4.69658 16.6124 numMergedOcc 0
17 mol 112 unq 2 iso 0 dist 7.42474 8.65004 12.2656 6.79584 13.1881 7.45152 numMergedOcc 0
18 mol 112 unq 3 iso 0 dist 7.42474 9.86487 5.76986 6.79584 13.1881 16.6124 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 5.21803 8.27017 5.8736 8.7019 4.68369 9.00581 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 6.28961 8.59976 10.3792 7.07933 5.38859 5.68902 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 6.28961 9.71763 8.6888 7.07933 5.38859 3.83687 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.52413 8.34668 15.1778 8.86574 4.04122 15.131 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.52413 8.76308 8.14815 8.86574 4.04122 5.39534 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.11505 6.79634 11.6232 4.72209 7.35363 4.76454 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.43611 6.90717 7.8472 6.26596 4.15355 4.05067 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 6.03738 5.75445 6.17246 8.32382 4.65404 8.76971 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 5.60236 8.08581 5.5163 5.49475 4.67058 3.66752 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 9.03917 5.98104 5.5163 7.8548 4.67058 3.66752 numMergedOcc 0
29 mol 235 unq 2 iso 0 dist 6.56775 5.98104 7.77516 7.8548 10.28 3.66752 numMergedOcc 0
30 mol 235 unq 3 iso 0 dist 6.45574 4.46919 7.60081 8.28824 4.75609 6.82702 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 8.49415 7.87337 13.6299 9.40917 5.94366 10.6179 numMergedOcc 0
32 mol 265 unq 1 iso 0 dist 8.49415 7.87337 13.6299 5.44039 7.71667 6.31696 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 6.95233 8.31182 9.2768 7.96613 14.5358 14.8481 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 9.61741 8.31182 5.82477 7.96613 13.7682 14.8481 numMergedOcc 0
35 mol 266 unq 2 iso 0 dist 5.61056 8.31182 7.15796 7.96613 11.879 14.8481 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 9.38793 7.64361 16.4697 7.05489 9.94225 10.646 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 9.27716 9.42297 11.6729 7.8046 12.8596 3.78169 numMergedOcc 0
