0 mol 25 unq 0 iso 0 dist 9.49421 7.52933 16.0628 6.55597 12.1732 6.53015 10.9391 9.48085 16.4232 11.037 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 9.49421 6.55597 12.1732 7.52933 16.0628 6.53015 10.9391 9.48085 11.037 16.4232 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.49421 7.52933 16.0628 9.71956 8.99147 11.8984 10.9391 9.48085 16.4232 14.581 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 9.49421 9.71956 8.99147 7.52933 16.0628 11.8984 10.9391 9.48085 14.581 16.4232 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.49421 7.52933 16.0628 7.07751 9.54872 8.64476 10.9391 9.48085 16.4232 13.0315 numMergedOcc 0
5 mol 25 unq 2 iso 1 dist 9.49421 7.07751 9.54872 7.52933 16.0628 8.64476 10.9391 9.48085 13.0315 16.4232 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 9.49421 7.52933 16.0628 8.23761 14.6175 4.64241 10.9391 9.48085 16.4232 17.2964 numMergedOcc 0
7 mol 25 unq 3 iso 1 dist 9.49421 8.23761 14.6175 7.52933 16.0628 4.64241 10.9391 9.48085 17.2964 16.4232 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 9.49421 6.55597 12.1732 9.71956 8.99147 9.19736 10.9391 9.48085 11.037 14.581 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 9.49421 9.71956 8.99147 6.55597 12.1732 9.19736 10.9391 9.48085 14.581 11.037 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 9.49421 6.55597 12.1732 7.07751 9.54872 5.78812 10.9391 9.48085 11.037 13.0315 numMergedOcc 0
11 mol 25 unq 2 iso 1 dist 9.49421 7.07751 9.54872 6.55597 12.1732 5.78812 10.9391 9.48085 13.0315 11.037 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 9.49421 6.55597 12.1732 8.23761 14.6175 7.36721 10.9391 9.48085 11.037 17.2964 numMergedOcc 0
13 mol 25 unq 3 iso 1 dist 9.49421 8.23761 14.6175 6.55597 12.1732 7.36721 10.9391 9.48085 17.2964 11.037 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 9.49421 9.71956 8.99147 7.07751 9.54872 3.56099 10.9391 9.48085 14.581 13.0315 numMergedOcc 0
15 mol 25 unq 2 iso 1 dist 9.49421 7.07751 9.54872 9.71956 8.99147 3.56099 10.9391 9.48085 13.0315 14.581 numMergedOcc 0
16 mol 25 unq 3 iso 0 dist 9.49421 9.71956 8.99147 8.23761 14.6175 8.42944 10.9391 9.48085 14.581 17.2964 numMergedOcc 0
17 mol 25 unq 3 iso 1 dist 9.49421 8.23761 14.6175 9.71956 8.99147 8.42944 10.9391 9.48085 17.2964 14.581 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 9.49421 7.07751 9.54872 8.23761 14.6175 5.99526 10.9391 9.48085 13.0315 17.2964 numMergedOcc 0
19 mol 25 unq 3 iso 1 dist 9.49421 8.23761 14.6175 7.07751 9.54872 5.99526 10.9391 9.48085 17.2964 13.0315 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 7.66093 5.75711 5.26077 7.04035 9.74228 10.7906 12.952 numMergedOcc 0
21 mol 72 unq 0 iso 1 dist 6.21799 7.66093 5.75711 5.03251 3.43675 5.26077 7.04035 9.74228 12.952 10.7906 numMergedOcc 0
22 mol 72 unq 1 iso 0 dist 6.21799 5.03251 3.43675 7.66093 5.75711 5.26077 8.24309 7.12321 9.35457 12.1131 numMergedOcc 0
23 mol 72 unq 1 iso 1 dist 6.21799 7.66093 5.75711 5.03251 3.43675 5.26077 8.24309 7.12321 12.1131 9.35457 numMergedOcc 0
24 mol 72 unq 2 iso 0 dist 5.03251 6.21799 3.43675 7.66093 5.26077 5.75711 5.8486 9.56773 10.9808 13.336 numMergedOcc 0
25 mol 72 unq 2 iso 1 dist 5.03251 7.66093 5.26077 6.21799 3.43675 5.75711 5.8486 9.56773 13.336 10.9808 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 5.61588 8.72682 9.76138 6.45841 3.32668 11.9298 8.07446 5.5087 10.2939 8.62198 numMergedOcc 0
27 mol 73 unq 0 iso 1 dist 5.61588 6.45841 3.32668 8.72682 9.76138 11.9298 8.07446 5.5087 8.62198 10.2939 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 5.61588 8.72682 9.76138 7.83244 5.30471 5.81659 8.07446 5.5087 10.2939 6.08682 numMergedOcc 0
29 mol 73 unq 1 iso 1 dist 5.61588 7.83244 5.30471 8.72682 9.76138 5.81659 8.07446 5.5087 6.08682 10.2939 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 5.61588 6.45841 3.32668 7.83244 5.30471 8.07648 8.07446 5.5087 8.62198 6.08682 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 5.61588 7.83244 5.30471 6.45841 3.32668 8.07648 8.07446 5.5087 6.08682 8.62198 numMergedOcc 0
32 mol 73 unq 2 iso 0 dist 7.83244 8.72682 5.81659 6.45841 8.07648 11.9298 8.07446 6.08682 10.2939 8.62198 numMergedOcc 0
33 mol 73 unq 2 iso 1 dist 7.83244 6.45841 8.07648 8.72682 5.81659 11.9298 8.07446 6.08682 8.62198 10.2939 numMergedOcc 0
34 mol 73 unq 3 iso 0 dist 7.83244 8.72682 5.81659 5.61588 5.30471 9.76138 8.07446 6.08682 10.2939 5.5087 numMergedOcc 0
35 mol 73 unq 3 iso 1 dist 7.83244 5.61588 5.30471 8.72682 5.81659 9.76138 8.07446 6.08682 5.5087 10.2939 numMergedOcc 0
36 mol 73 unq 3 iso 0 dist 7.83244 6.45841 8.07648 5.61588 5.30471 3.32668 8.07446 6.08682 8.62198 5.5087 numMergedOcc 0
37 mol 73 unq 3 iso 1 dist 7.83244 5.61588 5.30471 6.45841 8.07648 3.32668 8.07446 6.08682 5.5087 8.62198 numMergedOcc 0
38 mol 95 unq 0 iso 0 dist 8.27883 5.75428 6.27231 8.57395 11.734 6.95874 6.59884 7.7152 10.0848 14.2618 numMergedOcc 0
39 mol 95 unq 0 iso 1 dist 8.27883 8.57395 11.734 5.75428 6.27231 6.95874 6.59884 7.7152 14.2618 10.0848 numMergedOcc 0
40 mol 95 unq 1 iso 0 dist 8.27883 5.75428 6.27231 9.85409 17.4304 12.3063 6.59884 7.7152 10.0848 15.9129 numMergedOcc 0
41 mol 95 unq 1 iso 1 dist 8.27883 9.85409 17.4304 5.75428 6.27231 12.3063 6.59884 7.7152 15.9129 10.0848 numMergedOcc 0
42 mol 95 unq 1 iso 0 dist 8.27883 8.57395 11.734 9.85409 17.4304 9.43547 6.59884 7.7152 14.2618 15.9129 numMergedOcc 0
43 mol 95 unq 1 iso 1 dist 8.27883 9.85409 17.4304 8.57395 11.734 9.43547 6.59884 7.7152 15.9129 14.2618 numMergedOcc 0
44 mol 167 unq 0 iso 0 dist 9.2289 7.20495 9.25262 7.02548 3.55199 6.81449 4.70068 7.68266 10.5499 6.84752 numMergedOcc 0
45 mol 167 unq 0 iso 1 dist 9.2289 7.02548 3.55199 7.20495 9.25262 6.81449 4.70068 7.68266 6.84752 10.5499 numMergedOcc 0
46 mol 167 unq 1 iso 0 dist 9.2289 7.20495 9.25262 7.02548 3.55199 6.81449 10.3445 7.6616 14.1851 7.86563 numMergedOcc 0
47 mol 167 unq 1 iso 1 dist 9.2289 7.02548 3.55199 7.20495 9.25262 6.81449 10.3445 7.6616 7.86563 14.1851 numMergedOcc 0
48 mol 167 unq 2 iso 0 dist 7.02548 7.20495 6.81449 9.2289 3.55199 9.25262 4.70068 6.84752 10.5499 7.68266 numMergedOcc 0
49 mol 167 unq 2 iso 1 dist 7.02548 9.2289 3.55199 7.20495 6.81449 9.25262 4.70068 6.84752 7.68266 10.5499 numMergedOcc 0
50 mol 167 unq 3 iso 0 dist 7.02548 7.20495 6.81449 9.2289 3.55199 9.25262 10.3445 7.86563 14.1851 7.6616 numMergedOcc 0
51 mol 167 unq 3 iso 1 dist 7.02548 9.2289 3.55199 7.20495 6.81449 9.25262 10.3445 7.86563 7.6616 14.1851 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 9.01624 6.64173 11.196 9.55105 3.55187 10.1041 11.5866 5.05973 15.3823 8.40951 numMergedOcc 0
53 mol 181 unq 0 iso 1 dist 9.01624 9.55105 3.55187 6.64173 11.196 10.1041 11.5866 5.05973 8.40951 15.3823 numMergedOcc 0
54 mol 192 unq 0 iso 0 dist 5.64942 9.78634 5.9655 7.43054 3.60331 7.70298 5.76246 6.97962 12.8149 6.79229 numMergedOcc 0
55 mol 192 unq 0 iso 1 dist 5.64942 7.43054 3.60331 9.78634 5.9655 7.70298 5.76246 6.97962 6.79229 12.8149 numMergedOcc 0
56 mol 192 unq 1 iso 0 dist 7.43054 9.78634 7.70298 5.64942 3.60331 5.9655 5.76246 6.79229 12.8149 6.97962 numMergedOcc 0
57 mol 192 unq 1 iso 1 dist 7.43054 5.64942 3.60331 9.78634 7.70298 5.9655 5.76246 6.79229 6.97962 12.8149 numMergedOcc 0
58 mol 207 unq 0 iso 0 dist 6.0563 5.12567 6.07936 8.1244 4.66347 10.1734 5.99308 9.98372 10.4761 9.1528 numMergedOcc 0
59 mol 207 unq 0 iso 1 dist 6.0563 8.1244 4.66347 5.12567 6.07936 10.1734 5.99308 9.98372 9.1528 10.4761 numMergedOcc 0
60 mol 207 unq 1 iso 0 dist 8.1244 5.12567 10.1734 6.0563 4.66347 6.07936 5.99308 9.1528 10.4761 9.98372 numMergedOcc 0
61 mol 207 unq 1 iso 1 dist 8.1244 6.0563 4.66347 5.12567 10.1734 6.07936 5.99308 9.1528 9.98372 10.4761 numMergedOcc 0
62 mol 225 unq 0 iso 0 dist 6.50998 9.09424 8.05944 8.14831 13.7858 11.2712 13.3965 8.1945 14.7849 21.1757 numMergedOcc 0
63 mol 225 unq 0 iso 1 dist 6.50998 8.14831 13.7858 9.09424 8.05944 11.2712 13.3965 8.1945 21.1757 14.7849 numMergedOcc 0
64 mol 277 unq 0 iso 0 dist 8.9682 9.35539 16.9644 6.92711 3.39114 15.8851 11.8268 9.57499 15.5554 11.4389 numMergedOcc 0
65 mol 277 unq 0 iso 1 dist 8.9682 6.92711 3.39114 9.35539 16.9644 15.8851 11.8268 9.57499 11.4389 15.5554 numMergedOcc 0
66 mol 277 unq 1 iso 0 dist 8.9682 9.35539 16.9644 6.92711 3.39114 15.8851 7.08227 5.46926 14.9313 5.13913 numMergedOcc 0
67 mol 277 unq 1 iso 1 dist 8.9682 6.92711 3.39114 9.35539 16.9644 15.8851 7.08227 5.46926 5.13913 14.9313 numMergedOcc 0
68 mol 277 unq 2 iso 0 dist 6.92711 9.35539 15.8851 8.9682 3.39114 16.9644 7.08227 5.13913 14.9313 5.46926 numMergedOcc 0
69 mol 277 unq 2 iso 1 dist 6.92711 8.9682 3.39114 9.35539 15.8851 16.9644 7.08227 5.13913 5.46926 14.9313 numMergedOcc 0
70 mol 292 unq 0 iso 0 dist 7.30758 9.46442 3.57128 9.5785 10.0941 11.3907 10.3106 9.9182 13.4489 13.7082 numMergedOcc 0
71 mol 292 unq 0 iso 1 dist 7.30758 9.5785 10.0941 9.46442 3.57128 11.3907 10.3106 9.9182 13.7082 13.4489 numMergedOcc 0
72 mol 292 unq 1 iso 0 dist 7.30758 9.46442 3.57128 9.5785 10.0941 11.3907 12.6861 9.10788 9.96037 18.9744 numMergedOcc 0
73 mol 292 unq 1 iso 1 dist 7.30758 9.5785 10.0941 9.46442 3.57128 11.3907 12.6861 9.10788 18.9744 9.96037 numMergedOcc 0
74 mol 292 unq 2 iso 0 dist 7.30758 9.46442 3.57128 9.76319 13.2166 13.609 10.3106 9.9182 13.4489 18.0254 numMergedOcc 0
75 mol 292 unq 2 iso 1 dist 7.30758 9.76319 13.2166 9.46442 3.57128 13.609 10.3106 9.9182 18.0254 13.4489 numMergedOcc 0
76 mol 292 unq 3 iso 0 dist 7.30758 9.46442 3.57128 9.76319 13.2166 13.609 12.6861 9.10788 9.96037 21.1604 numMergedOcc 0
77 mol 292 unq 3 iso 1 dist 7.30758 9.76319 13.2166 9.46442 3.57128 13.609 12.6861 9.10788 21.1604 9.96037 numMergedOcc 0
78 mol 292 unq 2 iso 0 dist 7.30758 9.5785 10.0941 9.76319 13.2166 7.00706 10.3106 9.9182 13.7082 18.0254 numMergedOcc 0
79 mol 292 unq 2 iso 1 dist 7.30758 9.76319 13.2166 9.5785 10.0941 7.00706 10.3106 9.9182 18.0254 13.7082 numMergedOcc 0
80 mol 292 unq 3 iso 0 dist 7.30758 9.5785 10.0941 9.76319 13.2166 7.00706 12.6861 9.10788 18.9744 21.1604 numMergedOcc 0
81 mol 292 unq 3 iso 1 dist 7.30758 9.76319 13.2166 9.5785 10.0941 7.00706 12.6861 9.10788 21.1604 18.9744 numMergedOcc 0
