0 mol 8 unq 0 iso 0 dist 4.92734 7.97177 8.53529 13.8619 12.4076 7.03958 6.57999 8.4069 7.18019 10.9495 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 4.92734 7.97177 8.53529 6.57999 8.4069 7.18019 13.8619 12.4076 7.03958 10.9495 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 4.92734 7.97177 8.53529 13.8619 12.4076 7.03958 12.3088 12.9016 8.44009 8.09332 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 4.92734 7.97177 8.53529 12.3088 12.9016 8.44009 13.8619 12.4076 7.03958 8.09332 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 4.92734 7.97177 8.53529 6.57999 8.4069 7.18019 12.3088 12.9016 8.44009 6.23795 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 4.92734 7.97177 8.53529 12.3088 12.9016 8.44009 6.57999 8.4069 7.18019 6.23795 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 6.4754 5.3298 7.18019 10.2567 10.9495 7.03958 11.9453 8.4069 8.53529 12.4076 numMergedOcc 0
7 mol 8 unq 2 iso 1 dist 6.4754 5.3298 7.18019 11.9453 8.4069 8.53529 10.2567 10.9495 7.03958 12.4076 numMergedOcc 0
8 mol 8 unq 3 iso 0 dist 6.4754 5.3298 7.18019 10.2567 10.9495 7.03958 7.3795 6.23795 8.44009 8.09332 numMergedOcc 0
9 mol 8 unq 3 iso 1 dist 6.4754 5.3298 7.18019 7.3795 6.23795 8.44009 10.2567 10.9495 7.03958 8.09332 numMergedOcc 0
10 mol 8 unq 3 iso 0 dist 6.4754 5.3298 7.18019 11.9453 8.4069 8.53529 7.3795 6.23795 8.44009 12.9016 numMergedOcc 0
11 mol 8 unq 3 iso 1 dist 6.4754 5.3298 7.18019 7.3795 6.23795 8.44009 11.9453 8.4069 8.53529 12.9016 numMergedOcc 0
12 mol 8 unq 4 iso 0 dist 6.57999 7.97177 7.18019 13.8619 10.9495 7.03958 4.92734 8.4069 8.53529 12.4076 numMergedOcc 0
13 mol 8 unq 4 iso 1 dist 6.57999 7.97177 7.18019 4.92734 8.4069 8.53529 13.8619 10.9495 7.03958 12.4076 numMergedOcc 0
14 mol 8 unq 5 iso 0 dist 6.57999 7.97177 7.18019 13.8619 10.9495 7.03958 12.3088 6.23795 8.44009 8.09332 numMergedOcc 0
15 mol 8 unq 5 iso 1 dist 6.57999 7.97177 7.18019 12.3088 6.23795 8.44009 13.8619 10.9495 7.03958 8.09332 numMergedOcc 0
16 mol 8 unq 5 iso 0 dist 6.57999 7.97177 7.18019 4.92734 8.4069 8.53529 12.3088 6.23795 8.44009 12.9016 numMergedOcc 0
17 mol 8 unq 5 iso 1 dist 6.57999 7.97177 7.18019 12.3088 6.23795 8.44009 4.92734 8.4069 8.53529 12.9016 numMergedOcc 0
18 mol 8 unq 6 iso 0 dist 7.3795 5.3298 8.44009 10.2567 8.09332 7.03958 11.9453 12.9016 8.53529 12.4076 numMergedOcc 0
19 mol 8 unq 6 iso 1 dist 7.3795 5.3298 8.44009 11.9453 12.9016 8.53529 10.2567 8.09332 7.03958 12.4076 numMergedOcc 0
20 mol 8 unq 7 iso 0 dist 7.3795 5.3298 8.44009 10.2567 8.09332 7.03958 6.4754 6.23795 7.18019 10.9495 numMergedOcc 0
21 mol 8 unq 7 iso 1 dist 7.3795 5.3298 8.44009 6.4754 6.23795 7.18019 10.2567 8.09332 7.03958 10.9495 numMergedOcc 0
22 mol 8 unq 7 iso 0 dist 7.3795 5.3298 8.44009 11.9453 12.9016 8.53529 6.4754 6.23795 7.18019 8.4069 numMergedOcc 0
23 mol 8 unq 7 iso 1 dist 7.3795 5.3298 8.44009 6.4754 6.23795 7.18019 11.9453 12.9016 8.53529 8.4069 numMergedOcc 0
24 mol 9 unq 0 iso 0 dist 9.16444 5.86578 7.32257 11.4615 6.14147 6.55811 13.4922 10.5747 8.64915 5.06358 numMergedOcc 0
25 mol 9 unq 0 iso 1 dist 9.16444 5.86578 7.32257 13.4922 10.5747 8.64915 11.4615 6.14147 6.55811 5.06358 numMergedOcc 0
26 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 15.5985 14.6259 8.4051 17.2959 10.0952 7.29868 15.5315 numMergedOcc 0
27 mol 24 unq 0 iso 1 dist 8.20058 13.4836 8.60554 17.2959 10.0952 7.29868 15.5985 14.6259 8.4051 15.5315 numMergedOcc 0
28 mol 25 unq 0 iso 0 dist 9.22151 6.63966 8.50222 14.305 15.5644 8.87757 6.22122 4.33106 7.55264 16.1048 numMergedOcc 0
29 mol 25 unq 0 iso 1 dist 9.22151 6.63966 8.50222 6.22122 4.33106 7.55264 14.305 15.5644 8.87757 16.1048 numMergedOcc 0
30 mol 25 unq 1 iso 0 dist 6.22122 6.63966 7.55264 14.305 16.1048 8.87757 9.22151 4.33106 8.50222 15.5644 numMergedOcc 0
31 mol 25 unq 1 iso 1 dist 6.22122 6.63966 7.55264 9.22151 4.33106 8.50222 14.305 16.1048 8.87757 15.5644 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 5.85841 4.81103 5.78706 11.1652 7.51619 7.23884 7.00285 10.6225 5.59328 11.4338 numMergedOcc 0
33 mol 98 unq 0 iso 1 dist 5.85841 4.81103 5.78706 7.00285 10.6225 5.59328 11.1652 7.51619 7.23884 11.4338 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 5.85841 4.81103 5.78706 11.1652 7.51619 7.23884 11.8527 12.7411 7.5242 9.30161 numMergedOcc 0
35 mol 98 unq 1 iso 1 dist 5.85841 4.81103 5.78706 11.8527 12.7411 7.5242 11.1652 7.51619 7.23884 9.30161 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 5.85841 4.81103 5.78706 7.00285 10.6225 5.59328 11.8527 12.7411 7.5242 7.72877 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 5.85841 4.81103 5.78706 11.8527 12.7411 7.5242 7.00285 10.6225 5.59328 7.72877 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 6.78839 7.22196 5.78706 11.1321 7.51619 7.23884 8.02354 10.6225 5.59328 11.4338 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 6.78839 7.22196 5.78706 8.02354 10.6225 5.59328 11.1321 7.51619 7.23884 11.4338 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 6.78839 7.22196 5.78706 11.1321 7.51619 7.23884 13.7128 12.7411 7.5242 9.30161 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 6.78839 7.22196 5.78706 13.7128 12.7411 7.5242 11.1321 7.51619 7.23884 9.30161 numMergedOcc 0
42 mol 98 unq 3 iso 0 dist 6.78839 7.22196 5.78706 8.02354 10.6225 5.59328 13.7128 12.7411 7.5242 7.72877 numMergedOcc 0
43 mol 98 unq 3 iso 1 dist 6.78839 7.22196 5.78706 13.7128 12.7411 7.5242 8.02354 10.6225 5.59328 7.72877 numMergedOcc 0
44 mol 98 unq 4 iso 0 dist 7.00285 4.81103 5.59328 5.85841 10.6225 5.78706 11.1652 11.4338 7.23884 7.51619 numMergedOcc 0
45 mol 98 unq 4 iso 1 dist 7.00285 4.81103 5.59328 11.1652 11.4338 7.23884 5.85841 10.6225 5.78706 7.51619 numMergedOcc 0
46 mol 98 unq 5 iso 0 dist 7.00285 4.81103 5.59328 5.85841 10.6225 5.78706 11.8527 7.72877 7.5242 12.7411 numMergedOcc 0
47 mol 98 unq 5 iso 1 dist 7.00285 4.81103 5.59328 11.8527 7.72877 7.5242 5.85841 10.6225 5.78706 12.7411 numMergedOcc 0
48 mol 98 unq 5 iso 0 dist 7.00285 4.81103 5.59328 11.1652 11.4338 7.23884 11.8527 7.72877 7.5242 9.30161 numMergedOcc 0
49 mol 98 unq 5 iso 1 dist 7.00285 4.81103 5.59328 11.8527 7.72877 7.5242 11.1652 11.4338 7.23884 9.30161 numMergedOcc 0
50 mol 98 unq 6 iso 0 dist 8.02354 7.22196 5.59328 6.78839 10.6225 5.78706 11.1321 11.4338 7.23884 7.51619 numMergedOcc 0
51 mol 98 unq 6 iso 1 dist 8.02354 7.22196 5.59328 11.1321 11.4338 7.23884 6.78839 10.6225 5.78706 7.51619 numMergedOcc 0
52 mol 98 unq 7 iso 0 dist 8.02354 7.22196 5.59328 6.78839 10.6225 5.78706 13.7128 7.72877 7.5242 12.7411 numMergedOcc 0
53 mol 98 unq 7 iso 1 dist 8.02354 7.22196 5.59328 13.7128 7.72877 7.5242 6.78839 10.6225 5.78706 12.7411 numMergedOcc 0
54 mol 98 unq 7 iso 0 dist 8.02354 7.22196 5.59328 11.1321 11.4338 7.23884 13.7128 7.72877 7.5242 9.30161 numMergedOcc 0
55 mol 98 unq 7 iso 1 dist 8.02354 7.22196 5.59328 13.7128 7.72877 7.5242 11.1321 11.4338 7.23884 9.30161 numMergedOcc 0
56 mol 125 unq 0 iso 0 dist 6.03557 8.27647 9.3778 10.231 5.20403 9.08382 13.084 11.8325 7.47069 9.34412 numMergedOcc 0
57 mol 125 unq 0 iso 1 dist 6.03557 8.27647 9.3778 13.084 11.8325 7.47069 10.231 5.20403 9.08382 9.34412 numMergedOcc 0
58 mol 125 unq 1 iso 0 dist 7.76202 7.74181 7.47069 13.6357 9.34412 9.08382 13.0388 11.8325 9.3778 5.20403 numMergedOcc 0
59 mol 125 unq 1 iso 1 dist 7.76202 7.74181 7.47069 13.0388 11.8325 9.3778 13.6357 9.34412 9.08382 5.20403 numMergedOcc 0
60 mol 133 unq 0 iso 0 dist 9.79004 13.2968 7.71248 14.9707 6.761 9.97654 16.8376 7.6656 6.66772 6.69554 numMergedOcc 0
61 mol 133 unq 0 iso 1 dist 9.79004 13.2968 7.71248 16.8376 7.6656 6.66772 14.9707 6.761 9.97654 6.69554 numMergedOcc 0
62 mol 171 unq 0 iso 0 dist 7.13441 8.99392 8.24693 15.1055 11.6409 6.64834 12.2067 7.31409 5.93786 4.91149 numMergedOcc 0
63 mol 171 unq 0 iso 1 dist 7.13441 8.99392 8.24693 12.2067 7.31409 5.93786 15.1055 11.6409 6.64834 4.91149 numMergedOcc 0
64 mol 171 unq 1 iso 0 dist 7.13441 8.99392 8.24693 15.1055 11.6409 6.64834 15.9953 14.1033 7.36698 5.51687 numMergedOcc 0
65 mol 171 unq 1 iso 1 dist 7.13441 8.99392 8.24693 15.9953 14.1033 7.36698 15.1055 11.6409 6.64834 5.51687 numMergedOcc 0
66 mol 171 unq 1 iso 0 dist 7.13441 8.99392 8.24693 12.2067 7.31409 5.93786 15.9953 14.1033 7.36698 8.07119 numMergedOcc 0
67 mol 171 unq 1 iso 1 dist 7.13441 8.99392 8.24693 15.9953 14.1033 7.36698 12.2067 7.31409 5.93786 8.07119 numMergedOcc 0
68 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 6.58792 6.01247 6.22122 10.3907 8.88798 7.99195 12.6324 numMergedOcc 0
69 mol 181 unq 0 iso 1 dist 8.90247 6.56225 6.2479 10.3907 8.88798 7.99195 6.58792 6.01247 6.22122 12.6324 numMergedOcc 0
70 mol 181 unq 1 iso 0 dist 6.58792 6.56225 6.22122 8.90247 6.01247 6.2479 10.3907 12.6324 7.99195 8.88798 numMergedOcc 0
71 mol 181 unq 1 iso 1 dist 6.58792 6.56225 6.22122 10.3907 12.6324 7.99195 8.90247 6.01247 6.2479 8.88798 numMergedOcc 0
72 mol 274 unq 0 iso 0 dist 5.82876 4.48276 7.46394 12.6563 10.501 9.45514 12.336 14.3919 8.91672 11.7196 numMergedOcc 0
73 mol 274 unq 0 iso 1 dist 5.82876 4.48276 7.46394 12.336 14.3919 8.91672 12.6563 10.501 9.45514 11.7196 numMergedOcc 0
74 mol 274 unq 1 iso 0 dist 5.82876 4.48276 7.46394 12.6563 10.501 9.45514 8.71129 6.15918 7.1729 6.828 numMergedOcc 0
75 mol 274 unq 1 iso 1 dist 5.82876 4.48276 7.46394 8.71129 6.15918 7.1729 12.6563 10.501 9.45514 6.828 numMergedOcc 0
76 mol 274 unq 1 iso 0 dist 5.82876 4.48276 7.46394 12.336 14.3919 8.91672 8.71129 6.15918 7.1729 10.0083 numMergedOcc 0
77 mol 274 unq 1 iso 1 dist 5.82876 4.48276 7.46394 8.71129 6.15918 7.1729 12.336 14.3919 8.91672 10.0083 numMergedOcc 0
78 mol 274 unq 2 iso 0 dist 8.71129 4.48276 7.1729 5.82876 6.15918 7.46394 12.6563 6.828 9.45514 10.501 numMergedOcc 0
79 mol 274 unq 2 iso 1 dist 8.71129 4.48276 7.1729 12.6563 6.828 9.45514 5.82876 6.15918 7.46394 10.501 numMergedOcc 0
80 mol 274 unq 3 iso 0 dist 8.71129 4.48276 7.1729 5.82876 6.15918 7.46394 12.336 10.0083 8.91672 14.3919 numMergedOcc 0
81 mol 274 unq 3 iso 1 dist 8.71129 4.48276 7.1729 12.336 10.0083 8.91672 5.82876 6.15918 7.46394 14.3919 numMergedOcc 0
82 mol 274 unq 3 iso 0 dist 8.71129 4.48276 7.1729 12.6563 6.828 9.45514 12.336 10.0083 8.91672 11.7196 numMergedOcc 0
83 mol 274 unq 3 iso 1 dist 8.71129 4.48276 7.1729 12.336 10.0083 8.91672 12.6563 6.828 9.45514 11.7196 numMergedOcc 0
