0 mol 17 unq 0 iso 0 dist 7.96836 8.48453 13.5023 8.80499 15.703 5.14154 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 7.96836 8.80499 15.703 8.48453 13.5023 5.14154 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 8.49309 8.48453 16.6172 8.80499 16.0163 5.14154 numMergedOcc 0
3 mol 17 unq 1 iso 1 dist 8.49309 8.80499 16.0163 8.48453 16.6172 5.14154 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 7.23823 7.34019 5.25025 8.43828 11.6749 9.18814 numMergedOcc 0
5 mol 36 unq 0 iso 1 dist 7.23823 8.43828 11.6749 7.34019 5.25025 9.18814 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.8917 6.89185 9.15854 7.97217 5.12682 4.62896 numMergedOcc 0
7 mol 78 unq 0 iso 1 dist 9.8917 7.97217 5.12682 6.89185 9.15854 4.62896 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.97658 6.9538 5.71534 9.36111 6.226 5.04987 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 5.97658 9.36111 6.226 6.9538 5.71534 5.04987 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.93751 7.63658 14.2013 7.65229 6.29923 10.838 numMergedOcc 0
11 mol 112 unq 0 iso 1 dist 9.93751 7.65229 6.29923 7.63658 14.2013 10.838 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.98949 9.64856 9.5945 6.38977 7.47571 7.50824 numMergedOcc 0
13 mol 131 unq 0 iso 1 dist 8.98949 6.38977 7.47571 9.64856 9.5945 7.50824 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.98949 9.64856 9.5945 9.69757 12.885 11.0599 numMergedOcc 0
15 mol 131 unq 1 iso 1 dist 8.98949 9.69757 12.885 9.64856 9.5945 11.0599 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.98949 6.38977 7.47571 9.69757 12.885 5.55373 numMergedOcc 0
17 mol 131 unq 1 iso 1 dist 8.98949 9.69757 12.885 6.38977 7.47571 5.55373 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 8.58873 9.0339 5.28089 8.48641 4.50065 4.35917 numMergedOcc 0
19 mol 132 unq 0 iso 1 dist 8.58873 8.48641 4.50065 9.0339 5.28089 4.35917 numMergedOcc 0
20 mol 132 unq 1 iso 0 dist 8.58873 9.0339 5.28089 6.23573 10.672 13.624 numMergedOcc 0
21 mol 132 unq 1 iso 1 dist 8.58873 6.23573 10.672 9.0339 5.28089 13.624 numMergedOcc 0
22 mol 132 unq 1 iso 0 dist 8.58873 8.48641 4.50065 6.23573 10.672 12.1165 numMergedOcc 0
23 mol 132 unq 1 iso 1 dist 8.58873 6.23573 10.672 8.48641 4.50065 12.1165 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.88463 8.50904 6.93308 7.04318 6.01639 6.2715 numMergedOcc 0
25 mol 175 unq 0 iso 1 dist 8.88463 7.04318 6.01639 8.50904 6.93308 6.2715 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 7.21606 6.96824 5.32364 9.25528 9.56466 11.9017 numMergedOcc 0
27 mol 181 unq 0 iso 1 dist 7.21606 9.25528 9.56466 6.96824 5.32364 11.9017 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 9.75129 6.22696 6.04016 8.12158 5.51233 6.75702 numMergedOcc 0
29 mol 197 unq 0 iso 1 dist 9.75129 8.12158 5.51233 6.22696 6.04016 6.75702 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 9.9479 7.96424 17.1899 5.40366 12.7759 6.89336 numMergedOcc 0
31 mol 220 unq 0 iso 1 dist 9.9479 5.40366 12.7759 7.96424 17.1899 6.89336 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 9.9479 7.96424 17.1899 8.93637 10.7994 13.4403 numMergedOcc 0
33 mol 220 unq 1 iso 1 dist 9.9479 8.93637 10.7994 7.96424 17.1899 13.4403 numMergedOcc 0
34 mol 220 unq 1 iso 0 dist 9.9479 5.40366 12.7759 8.93637 10.7994 6.55533 numMergedOcc 0
35 mol 220 unq 1 iso 1 dist 9.9479 8.93637 10.7994 5.40366 12.7759 6.55533 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 6.9659 9.82174 5.48771 9.2521 14.301 14.0328 numMergedOcc 0
37 mol 238 unq 0 iso 1 dist 6.9659 9.2521 14.301 9.82174 5.48771 14.0328 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 6.9659 9.82174 5.48771 8.51359 15.0149 15.8898 numMergedOcc 0
39 mol 238 unq 1 iso 1 dist 6.9659 8.51359 15.0149 9.82174 5.48771 15.8898 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 6.9659 9.2521 14.301 8.51359 15.0149 6.85126 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 6.9659 8.51359 15.0149 9.2521 14.301 6.85126 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 8.09547 7.2527 4.98461 7.13194 13.3052 10.0191 numMergedOcc 0
43 mol 238 unq 2 iso 1 dist 8.09547 7.13194 13.3052 7.2527 4.98461 10.0191 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 8.66923 9.29203 15.3346 7.62771 13.1885 5.40359 numMergedOcc 0
45 mol 238 unq 3 iso 1 dist 8.66923 7.62771 13.1885 9.29203 15.3346 5.40359 numMergedOcc 0
46 mol 238 unq 4 iso 0 dist 8.66923 9.29203 15.3346 7.80166 7.04671 10.0191 numMergedOcc 0
47 mol 238 unq 4 iso 1 dist 8.66923 7.80166 7.04671 9.29203 15.3346 10.0191 numMergedOcc 0
48 mol 238 unq 4 iso 0 dist 8.66923 7.62771 13.1885 7.80166 7.04671 10.1648 numMergedOcc 0
49 mol 238 unq 4 iso 1 dist 8.66923 7.80166 7.04671 7.62771 13.1885 10.1648 numMergedOcc 0
50 mol 241 unq 0 iso 0 dist 8.73768 8.98617 4.86885 6.74552 5.89144 8.13129 numMergedOcc 0
51 mol 241 unq 0 iso 1 dist 8.73768 6.74552 5.89144 8.98617 4.86885 8.13129 numMergedOcc 0
52 mol 271 unq 0 iso 0 dist 6.33151 9.04738 12.409 8.68046 5.57071 9.81725 numMergedOcc 0
53 mol 271 unq 0 iso 1 dist 6.33151 8.68046 5.57071 9.04738 12.409 9.81725 numMergedOcc 0
54 mol 271 unq 1 iso 0 dist 6.33151 9.04738 12.409 5.98336 5.08815 10.2122 numMergedOcc 0
55 mol 271 unq 1 iso 1 dist 6.33151 5.98336 5.08815 9.04738 12.409 10.2122 numMergedOcc 0
56 mol 271 unq 2 iso 0 dist 6.33151 9.04738 12.409 9.67453 5.71631 16.9733 numMergedOcc 0
57 mol 271 unq 2 iso 1 dist 6.33151 9.67453 5.71631 9.04738 12.409 16.9733 numMergedOcc 0
58 mol 271 unq 1 iso 0 dist 6.33151 8.68046 5.57071 5.98336 5.08815 6.8467 numMergedOcc 0
59 mol 271 unq 1 iso 1 dist 6.33151 5.98336 5.08815 8.68046 5.57071 6.8467 numMergedOcc 0
60 mol 271 unq 2 iso 0 dist 6.33151 8.68046 5.57071 9.67453 5.71631 9.98968 numMergedOcc 0
61 mol 271 unq 2 iso 1 dist 6.33151 9.67453 5.71631 8.68046 5.57071 9.98968 numMergedOcc 0
62 mol 271 unq 2 iso 0 dist 6.33151 5.98336 5.08815 9.67453 5.71631 10.5503 numMergedOcc 0
63 mol 271 unq 2 iso 1 dist 6.33151 9.67453 5.71631 5.98336 5.08815 10.5503 numMergedOcc 0
64 mol 276 unq 0 iso 0 dist 8.63212 7.11272 11.0537 6.24808 9.50779 8.84158 numMergedOcc 0
65 mol 276 unq 0 iso 1 dist 8.63212 6.24808 9.50779 7.11272 11.0537 8.84158 numMergedOcc 0
