0 mol 12 unq 0 iso 0 dist 6.6051 10.1259 8.15864 6.98179 9.75368 6.9065 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 8.15864 10.1259 6.6051 6.9065 9.75368 6.98179 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.74487 9.9897 7.44828 6.76964 9.79966 5.7655 numMergedOcc 0
3 mol 33 unq 0 iso 1 dist 7.44828 9.9897 8.74487 5.7655 9.79966 6.76964 numMergedOcc 0
4 mol 33 unq 1 iso 0 dist 8.74487 9.9897 7.44828 8.87482 5.52992 5.62472 numMergedOcc 0
5 mol 33 unq 1 iso 1 dist 7.44828 9.9897 8.74487 5.62472 5.52992 8.87482 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.84944 12.0149 7.21995 7.95485 9.21978 6.80633 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 7.21995 12.0149 8.84944 6.80633 9.21978 7.95485 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.84944 12.0149 7.21995 14.9082 8.03754 4.80528 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 7.21995 12.0149 8.84944 4.80528 8.03754 14.9082 numMergedOcc 0
10 mol 55 unq 0 iso 0 dist 5.24742 7.02539 9.29433 7.38126 6.7877 10.7639 numMergedOcc 0
11 mol 55 unq 0 iso 1 dist 9.29433 7.02539 5.24742 10.7639 6.7877 7.38126 numMergedOcc 0
12 mol 55 unq 1 iso 0 dist 9.24055 7.02539 9.66898 7.38126 8.02261 10.7639 numMergedOcc 0
13 mol 55 unq 1 iso 1 dist 9.66898 7.02539 9.24055 10.7639 8.02261 7.38126 numMergedOcc 0
14 mol 63 unq 0 iso 0 dist 6.49343 12.2413 9.78739 7.01367 5.41831 6.60684 numMergedOcc 0
15 mol 63 unq 0 iso 1 dist 9.78739 12.2413 6.49343 6.60684 5.41831 7.01367 numMergedOcc 0
16 mol 64 unq 0 iso 0 dist 5.66803 12.1186 8.85416 6.33529 9.15386 10.9729 numMergedOcc 0
17 mol 64 unq 0 iso 1 dist 8.85416 12.1186 5.66803 10.9729 9.15386 6.33529 numMergedOcc 0
18 mol 64 unq 1 iso 0 dist 8.52643 5.76037 5.41357 15.4665 8.75668 9.95527 numMergedOcc 0
19 mol 64 unq 1 iso 1 dist 5.41357 5.76037 8.52643 9.95527 8.75668 15.4665 numMergedOcc 0
20 mol 64 unq 2 iso 0 dist 8.52643 5.76037 5.41357 9.48441 9.64871 6.41829 numMergedOcc 0
21 mol 64 unq 2 iso 1 dist 5.41357 5.76037 8.52643 6.41829 9.64871 9.48441 numMergedOcc 0
22 mol 64 unq 3 iso 0 dist 8.52643 5.76037 5.41357 4.76091 9.95118 6.13923 numMergedOcc 0
23 mol 64 unq 3 iso 1 dist 5.41357 5.76037 8.52643 6.13923 9.95118 4.76091 numMergedOcc 0
24 mol 73 unq 0 iso 0 dist 8.07498 11.7643 9.47045 4.97477 9.04731 10.5755 numMergedOcc 0
25 mol 73 unq 0 iso 1 dist 9.47045 11.7643 8.07498 10.5755 9.04731 4.97477 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 8.07498 11.7643 9.47045 16.0506 9.85884 9.80866 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 9.47045 11.7643 8.07498 9.80866 9.85884 16.0506 numMergedOcc 0
28 mol 105 unq 0 iso 0 dist 6.11833 4.40288 7.12201 11.5147 9.94398 9.36409 numMergedOcc 0
29 mol 105 unq 0 iso 1 dist 7.12201 4.40288 6.11833 9.36409 9.94398 11.5147 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 9.84762 4.76384 5.2184 6.45382 9.20041 5.82484 numMergedOcc 0
31 mol 119 unq 0 iso 1 dist 5.2184 4.76384 9.84762 5.82484 9.20041 6.45382 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 6.08846 7.88461 9.19171 6.58443 8.88233 10.4466 numMergedOcc 0
33 mol 131 unq 0 iso 1 dist 9.19171 7.88461 6.08846 10.4466 8.88233 6.58443 numMergedOcc 0
34 mol 140 unq 0 iso 0 dist 8.94921 11.1772 7.77669 4.58643 8.92292 13.7353 numMergedOcc 0
35 mol 140 unq 0 iso 1 dist 7.77669 11.1772 8.94921 13.7353 8.92292 4.58643 numMergedOcc 0
36 mol 140 unq 1 iso 0 dist 8.94921 11.1772 7.77669 11.6044 8.67876 12.5321 numMergedOcc 0
37 mol 140 unq 1 iso 1 dist 7.77669 11.1772 8.94921 12.5321 8.67876 11.6044 numMergedOcc 0
38 mol 140 unq 2 iso 0 dist 8.94921 11.1772 7.77669 15.8205 9.11235 11.9489 numMergedOcc 0
39 mol 140 unq 2 iso 1 dist 7.77669 11.1772 8.94921 11.9489 9.11235 15.8205 numMergedOcc 0
40 mol 140 unq 3 iso 0 dist 8.94921 11.1772 7.77669 10.0917 8.15118 4.95731 numMergedOcc 0
41 mol 140 unq 3 iso 1 dist 7.77669 11.1772 8.94921 4.95731 8.15118 10.0917 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 9.65031 11.2441 8.51844 14.069 8.41774 4.46956 numMergedOcc 0
43 mol 152 unq 0 iso 1 dist 8.51844 11.2441 9.65031 4.46956 8.41774 14.069 numMergedOcc 0
44 mol 204 unq 0 iso 0 dist 6.62514 8.63339 6.20044 9.44151 9.24822 6.12296 numMergedOcc 0
45 mol 204 unq 0 iso 1 dist 6.20044 8.63339 6.62514 6.12296 9.24822 9.44151 numMergedOcc 0
46 mol 204 unq 1 iso 0 dist 6.62514 7.41625 9.41996 9.44151 9.24822 7.6966 numMergedOcc 0
47 mol 204 unq 1 iso 1 dist 9.41996 7.41625 6.62514 7.6966 9.24822 9.44151 numMergedOcc 0
48 mol 204 unq 1 iso 0 dist 6.20044 11.09 9.41996 6.12296 9.24822 7.6966 numMergedOcc 0
49 mol 204 unq 1 iso 1 dist 9.41996 11.09 6.20044 7.6966 9.24822 6.12296 numMergedOcc 0
50 mol 220 unq 0 iso 0 dist 8.57174 12.1405 6.80214 9.18635 9.9693 14.1934 numMergedOcc 0
51 mol 220 unq 0 iso 1 dist 6.80214 12.1405 8.57174 14.1934 9.9693 9.18635 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 6.23677 5.49559 9.04741 6.87755 7.49783 12.3271 numMergedOcc 0
53 mol 224 unq 0 iso 1 dist 9.04741 5.49559 6.23677 12.3271 7.49783 6.87755 numMergedOcc 0
54 mol 224 unq 1 iso 0 dist 6.23677 5.92863 7.31608 6.87755 7.49783 11.0252 numMergedOcc 0
55 mol 224 unq 1 iso 1 dist 7.31608 5.92863 6.23677 11.0252 7.49783 6.87755 numMergedOcc 0
56 mol 224 unq 1 iso 0 dist 9.04741 5.57847 7.31608 12.3271 7.49783 11.0252 numMergedOcc 0
57 mol 224 unq 1 iso 1 dist 7.31608 5.57847 9.04741 11.0252 7.49783 12.3271 numMergedOcc 0
58 mol 230 unq 0 iso 0 dist 8.47036 7.8679 9.14989 4.17865 9.01818 4.90192 numMergedOcc 0
59 mol 230 unq 0 iso 1 dist 9.14989 7.8679 8.47036 4.90192 9.01818 4.17865 numMergedOcc 0
60 mol 236 unq 0 iso 0 dist 8.63249 15.386 7.74348 10.2557 5.90804 6.49831 numMergedOcc 0
61 mol 236 unq 0 iso 1 dist 7.74348 15.386 8.63249 6.49831 5.90804 10.2557 numMergedOcc 0
62 mol 239 unq 0 iso 0 dist 8.26312 7.99748 7.58554 7.05402 7.78671 8.27566 numMergedOcc 0
63 mol 239 unq 0 iso 1 dist 7.58554 7.99748 8.26312 8.27566 7.78671 7.05402 numMergedOcc 0
64 mol 243 unq 0 iso 0 dist 4.64178 10.9243 9.16988 5.94295 9.35819 16.7683 numMergedOcc 0
65 mol 243 unq 0 iso 1 dist 9.16988 10.9243 4.64178 16.7683 9.35819 5.94295 numMergedOcc 0
66 mol 277 unq 0 iso 0 dist 6.66936 11.3688 8.15119 7.44724 4.81916 5.77904 numMergedOcc 0
67 mol 277 unq 0 iso 1 dist 8.15119 11.3688 6.66936 5.77904 4.81916 7.44724 numMergedOcc 0
68 mol 287 unq 0 iso 0 dist 9.18785 5.69849 6.45597 5.25077 9.32175 5.10722 numMergedOcc 0
69 mol 287 unq 0 iso 1 dist 6.45597 5.69849 9.18785 5.10722 9.32175 5.25077 numMergedOcc 0
70 mol 288 unq 0 iso 0 dist 9.18785 5.69849 6.45597 5.25077 9.32175 5.10722 numMergedOcc 0
71 mol 288 unq 0 iso 1 dist 6.45597 5.69849 9.18785 5.10722 9.32175 5.25077 numMergedOcc 0
72 mol 289 unq 0 iso 0 dist 9.18785 5.69849 6.45597 5.25077 9.32175 5.10722 numMergedOcc 0
73 mol 289 unq 0 iso 1 dist 6.45597 5.69849 9.18785 5.10722 9.32175 5.25077 numMergedOcc 0
74 mol 293 unq 0 iso 0 dist 4.72125 8.71249 7.41524 5.66805 5.44043 8.15525 numMergedOcc 0
75 mol 293 unq 0 iso 1 dist 7.41524 8.71249 4.72125 8.15525 5.44043 5.66805 numMergedOcc 0
76 mol 293 unq 1 iso 0 dist 4.72125 6.3489 6.42608 5.66805 5.44043 9.35524 numMergedOcc 0
77 mol 293 unq 1 iso 1 dist 6.42608 6.3489 4.72125 9.35524 5.44043 5.66805 numMergedOcc 0
78 mol 293 unq 1 iso 0 dist 7.41524 5.34794 6.42608 8.15525 5.44043 9.35524 numMergedOcc 0
79 mol 293 unq 1 iso 1 dist 6.42608 5.34794 7.41524 9.35524 5.44043 8.15525 numMergedOcc 0
