0 mol 11 unq 0 iso 0 dist 6.89666 6.74026 6.54358 10.6838 6.86684 6.859 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 8.78181 6.08585 6.53269 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 13.591 9.48085 10.9235 9.15781 9.81524 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.6396 5.23233 6.55597 8.78181 5.77929 9.16515 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.6396 10.4709 7.07751 8.78181 5.77929 9.82987 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.6396 13.591 9.49421 8.78181 5.77929 6.53269 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.6396 13.591 9.49421 10.9235 6.68639 9.81524 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.36193 4.99692 9.22598 5.84625 9.95364 9.01564 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 4.88613 4.99692 8.96727 5.84625 5.49591 9.01564 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 4.88613 3.70586 8.01308 5.84625 5.49591 7.11065 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.18305 4.21749 8.68662 9.54477 6.56633 8.96616 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.18305 5.65986 7.4369 9.54477 6.56633 6.14542 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 8.58841 16.3337 9.85905 14.8689 6.45686 7.46095 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 5.17585 3.82552 4.22363 9.32042 4.35926 8.06134 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 5.17585 3.82552 4.22363 8.23777 5.76098 5.36587 numMergedOcc 0
15 mol 112 unq 2 iso 0 dist 7.53905 3.61827 9.05166 5.42828 5.76986 8.72725 numMergedOcc 0
16 mol 112 unq 3 iso 0 dist 7.53905 3.78964 5.56994 5.42828 5.76986 6.11407 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 9.34823 5.13589 8.67537 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.44385 5.92411 6.99446 9.34823 10.8661 8.67537 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 5.63005 5.92411 7.64052 9.34823 12.0175 8.67537 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 9.28278 9.05571 5.51197 12.7577 4.92472 6.34626 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 5.82404 11.5628 8.77023 6.72323 4.54648 8.83732 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 9.92932 3.76211 7.21868 12.1527 4.57832 9.0176 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 9.60411 3.76211 7.93372 12.1527 5.29786 9.0176 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.60369 4.63732 9.66543 11.9876 7.1797 9.0176 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 9.55556 4.63732 7.21868 11.9876 4.57832 9.0176 numMergedOcc 0
26 mol 154 unq 0 iso 0 dist 6.23399 5.18463 8.33439 5.60184 7.51976 8.71789 numMergedOcc 0
27 mol 154 unq 1 iso 0 dist 6.23399 5.18463 8.33439 7.08477 7.23684 5.2693 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 9.58911 17.3349 8.59874 13.2834 6.06566 7.35884 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 9.84952 7.19461 6.64173 13.401 5.63555 8.12266 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 9.84952 9.77747 9.01624 12.7332 7.20191 5.99437 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 9.84952 10.0615 9.55105 13.401 5.63555 9.43306 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 9.84952 10.0615 9.55105 12.7332 7.20191 8.4848 numMergedOcc 0
33 mol 181 unq 5 iso 0 dist 7.41378 4.76079 5.05973 9.46838 5.48529 5.99437 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 8.03995 11.8169 7.2793 12.1826 10.5063 6.88127 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 7.85877 4.91709 5.56538 5.89818 7.75656 8.43195 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 7.85877 5.96186 7.48954 5.89818 7.75656 8.23406 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 8.6537 3.72432 7.27993 9.38362 6.65022 9.37336 numMergedOcc 0
38 mol 229 unq 1 iso 0 dist 8.75374 3.72432 9.51168 9.38362 5.42069 9.37336 numMergedOcc 0
39 mol 229 unq 2 iso 0 dist 5.57702 3.72432 6.95201 9.38362 10.2411 9.37336 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 7.86368 9.8663 7.81215 14.6064 10.0059 7.77911 numMergedOcc 0
41 mol 267 unq 0 iso 0 dist 9.62043 8.3484 7.34981 9.80577 8.37094 6.27154 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 9.65265 18.3627 9.30212 18.4464 9.5468 7.77765 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 9.65265 11.4981 6.4611 18.4464 9.5468 9.65868 numMergedOcc 0
44 mol 274 unq 2 iso 0 dist 9.65265 11.4981 6.4611 14.3742 6.70925 8.60027 numMergedOcc 0
45 mol 277 unq 0 iso 0 dist 9.77689 17.8399 9.57499 15.2129 6.28695 9.26157 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 8.51931 6.17642 9.57499 10.5 6.28695 9.26157 numMergedOcc 0
47 mol 277 unq 2 iso 0 dist 8.96343 6.17642 5.46926 10.5 4.37645 9.26157 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 9.29635 12.2421 8.9682 16.1262 7.70529 9.26157 numMergedOcc 0
49 mol 292 unq 0 iso 0 dist 9.20416 8.88312 7.20674 16.222 8.83082 8.62162 numMergedOcc 0
50 mol 292 unq 1 iso 0 dist 7.53641 10.0594 7.20674 12.578 8.83082 8.62162 numMergedOcc 0
