0 mol 20 unq 0 iso 0 dist 9.62492 8.67226 8.13992 9.37411 3.63394 5.17224 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 8.67226 9.62492 8.13992 9.37411 5.17224 3.63394 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.20647 5.83051 4.93841 7.65918 4.10415 3.21805 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 5.83051 5.20647 4.93841 7.65918 3.21805 4.10415 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.31349 7.61666 4.14953 7.88265 13.1384 9.33579 numMergedOcc 0
5 mol 83 unq 0 iso 1 dist 7.61666 9.31349 4.14953 7.88265 9.33579 13.1384 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.03407 6.39759 4.13723 7.06722 3.68302 6.29901 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 6.39759 8.03407 4.13723 7.06722 6.29901 3.68302 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.22411 6.17173 9.44223 5.58102 12.2805 3.78499 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 6.17173 9.22411 9.44223 5.58102 3.78499 12.2805 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 5.32517 7.6275 3.57533 7.12662 8.30851 8.39591 numMergedOcc 0
11 mol 128 unq 0 iso 1 dist 7.6275 5.32517 3.57533 7.12662 8.39591 8.30851 numMergedOcc 0
12 mol 128 unq 1 iso 0 dist 5.32517 7.6275 3.57533 9.38 12.0704 11.7516 numMergedOcc 0
13 mol 128 unq 1 iso 1 dist 7.6275 5.32517 3.57533 9.38 11.7516 12.0704 numMergedOcc 0
14 mol 128 unq 2 iso 0 dist 5.32517 7.4738 10.0842 7.12662 8.30851 3.81254 numMergedOcc 0
15 mol 128 unq 2 iso 1 dist 7.4738 5.32517 10.0842 7.12662 3.81254 8.30851 numMergedOcc 0
16 mol 128 unq 3 iso 0 dist 5.32517 7.4738 10.0842 9.38 12.0704 6.13996 numMergedOcc 0
17 mol 128 unq 3 iso 1 dist 7.4738 5.32517 10.0842 9.38 6.13996 12.0704 numMergedOcc 0
18 mol 128 unq 4 iso 0 dist 5.32517 8.88867 11.7069 7.12662 8.30851 7.67031 numMergedOcc 0
19 mol 128 unq 4 iso 1 dist 8.88867 5.32517 11.7069 7.12662 7.67031 8.30851 numMergedOcc 0
20 mol 128 unq 5 iso 0 dist 5.32517 8.88867 11.7069 9.38 12.0704 4.62046 numMergedOcc 0
21 mol 128 unq 5 iso 1 dist 8.88867 5.32517 11.7069 9.38 4.62046 12.0704 numMergedOcc 0
22 mol 128 unq 6 iso 0 dist 5.32517 7.04282 8.45681 7.12662 8.30851 4.79627 numMergedOcc 0
23 mol 128 unq 6 iso 1 dist 7.04282 5.32517 8.45681 7.12662 4.79627 8.30851 numMergedOcc 0
24 mol 128 unq 7 iso 0 dist 5.32517 7.04282 8.45681 9.38 12.0704 4.769 numMergedOcc 0
25 mol 128 unq 7 iso 1 dist 7.04282 5.32517 8.45681 9.38 4.769 12.0704 numMergedOcc 0
26 mol 128 unq 2 iso 0 dist 7.6275 7.4738 11.283 7.12662 8.39591 3.81254 numMergedOcc 0
27 mol 128 unq 2 iso 1 dist 7.4738 7.6275 11.283 7.12662 3.81254 8.39591 numMergedOcc 0
28 mol 128 unq 3 iso 0 dist 7.6275 7.4738 11.283 9.38 11.7516 6.13996 numMergedOcc 0
29 mol 128 unq 3 iso 1 dist 7.4738 7.6275 11.283 9.38 6.13996 11.7516 numMergedOcc 0
30 mol 128 unq 4 iso 0 dist 7.6275 8.88867 11.0489 7.12662 8.39591 7.67031 numMergedOcc 0
31 mol 128 unq 4 iso 1 dist 8.88867 7.6275 11.0489 7.12662 7.67031 8.39591 numMergedOcc 0
32 mol 128 unq 5 iso 0 dist 7.6275 8.88867 11.0489 9.38 11.7516 4.62046 numMergedOcc 0
33 mol 128 unq 5 iso 1 dist 8.88867 7.6275 11.0489 9.38 4.62046 11.7516 numMergedOcc 0
34 mol 128 unq 6 iso 0 dist 7.6275 7.04282 7.50392 7.12662 8.39591 4.79627 numMergedOcc 0
35 mol 128 unq 6 iso 1 dist 7.04282 7.6275 7.50392 7.12662 4.79627 8.39591 numMergedOcc 0
36 mol 128 unq 7 iso 0 dist 7.6275 7.04282 7.50392 9.38 11.7516 4.769 numMergedOcc 0
37 mol 128 unq 7 iso 1 dist 7.04282 7.6275 7.50392 9.38 4.769 11.7516 numMergedOcc 0
38 mol 128 unq 4 iso 0 dist 7.4738 8.88867 9.43368 7.12662 3.81254 7.67031 numMergedOcc 0
39 mol 128 unq 4 iso 1 dist 8.88867 7.4738 9.43368 7.12662 7.67031 3.81254 numMergedOcc 0
40 mol 128 unq 5 iso 0 dist 7.4738 8.88867 9.43368 9.38 6.13996 4.62046 numMergedOcc 0
41 mol 128 unq 5 iso 1 dist 8.88867 7.4738 9.43368 9.38 4.62046 6.13996 numMergedOcc 0
42 mol 128 unq 6 iso 0 dist 7.4738 7.04282 7.72018 7.12662 3.81254 4.79627 numMergedOcc 0
43 mol 128 unq 6 iso 1 dist 7.04282 7.4738 7.72018 7.12662 4.79627 3.81254 numMergedOcc 0
44 mol 128 unq 7 iso 0 dist 7.4738 7.04282 7.72018 9.38 6.13996 4.769 numMergedOcc 0
45 mol 128 unq 7 iso 1 dist 7.04282 7.4738 7.72018 9.38 4.769 6.13996 numMergedOcc 0
46 mol 128 unq 6 iso 0 dist 8.88867 7.04282 3.93975 7.12662 7.67031 4.79627 numMergedOcc 0
47 mol 128 unq 6 iso 1 dist 7.04282 8.88867 3.93975 7.12662 4.79627 7.67031 numMergedOcc 0
48 mol 128 unq 7 iso 0 dist 8.88867 7.04282 3.93975 9.38 4.62046 4.769 numMergedOcc 0
49 mol 128 unq 7 iso 1 dist 7.04282 8.88867 3.93975 9.38 4.769 4.62046 numMergedOcc 0
50 mol 141 unq 0 iso 0 dist 8.47476 6.74947 15.1471 5.96324 12.4943 5.51254 numMergedOcc 0
51 mol 141 unq 0 iso 1 dist 6.74947 8.47476 15.1471 5.96324 5.51254 12.4943 numMergedOcc 0
52 mol 141 unq 1 iso 0 dist 8.47476 6.74947 15.1471 9.22913 6 14.501 numMergedOcc 0
53 mol 141 unq 1 iso 1 dist 6.74947 8.47476 15.1471 9.22913 14.501 6 numMergedOcc 0
54 mol 176 unq 0 iso 0 dist 9.42768 8.12533 3.65834 9.81999 3.56849 6.84034 numMergedOcc 0
55 mol 176 unq 0 iso 1 dist 8.12533 9.42768 3.65834 9.81999 6.84034 3.56849 numMergedOcc 0
56 mol 176 unq 1 iso 0 dist 9.42768 8.12533 3.65834 8.89489 4.86988 6.25591 numMergedOcc 0
57 mol 176 unq 1 iso 1 dist 8.12533 9.42768 3.65834 8.89489 6.25591 4.86988 numMergedOcc 0
58 mol 176 unq 2 iso 0 dist 9.42768 7.0591 5.22027 9.81999 3.56849 7.30533 numMergedOcc 0
59 mol 176 unq 2 iso 1 dist 7.0591 9.42768 5.22027 9.81999 7.30533 3.56849 numMergedOcc 0
60 mol 176 unq 3 iso 0 dist 9.42768 7.0591 5.22027 8.89489 4.86988 3.47653 numMergedOcc 0
61 mol 176 unq 3 iso 1 dist 7.0591 9.42768 5.22027 8.89489 3.47653 4.86988 numMergedOcc 0
62 mol 176 unq 2 iso 0 dist 8.12533 7.0591 4.22281 9.81999 6.84034 7.30533 numMergedOcc 0
63 mol 176 unq 2 iso 1 dist 7.0591 8.12533 4.22281 9.81999 7.30533 6.84034 numMergedOcc 0
64 mol 176 unq 3 iso 0 dist 8.12533 7.0591 4.22281 8.89489 6.25591 3.47653 numMergedOcc 0
65 mol 176 unq 3 iso 1 dist 7.0591 8.12533 4.22281 8.89489 3.47653 6.25591 numMergedOcc 0
66 mol 226 unq 0 iso 0 dist 6.67272 9.45332 6.89 7.00922 3.56022 4.56116 numMergedOcc 0
67 mol 226 unq 0 iso 1 dist 9.45332 6.67272 6.89 7.00922 4.56116 3.56022 numMergedOcc 0
68 mol 235 unq 0 iso 0 dist 6.91126 9.48967 13.6805 8.28824 3.76405 12.0808 numMergedOcc 0
69 mol 235 unq 0 iso 1 dist 9.48967 6.91126 13.6805 8.28824 12.0808 3.76405 numMergedOcc 0
70 mol 260 unq 0 iso 0 dist 7.46 6.71406 5.43735 8.90109 3.43711 7.63469 numMergedOcc 0
71 mol 260 unq 0 iso 1 dist 6.71406 7.46 5.43735 8.90109 7.63469 3.43711 numMergedOcc 0
72 mol 277 unq 0 iso 0 dist 6.58667 6.01542 10.4877 7.05489 6.48624 6.22898 numMergedOcc 0
73 mol 277 unq 0 iso 1 dist 6.01542 6.58667 10.4877 7.05489 6.22898 6.48624 numMergedOcc 0
74 mol 292 unq 0 iso 0 dist 9.05047 7.24072 3.71231 8.49016 3.78898 4.41063 numMergedOcc 0
75 mol 292 unq 0 iso 1 dist 7.24072 9.05047 3.71231 8.49016 4.41063 3.78898 numMergedOcc 0
