0 mol 33 unq 0 iso 0 dist 7.89306 6.23577 4.64187 5.71433 4.78873 3.60218 8.36697 4.43305 7.95437 8.03913 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.26566 9.4465 8.71074 5.08181 7.7485 7.18877 13.8811 12.8321 5.64092 12.4458 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 4.2253 5.21981 4.74254 8.65653 6.20144 7.19532 6.65972 5.63083 4.78333 10.5441 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 7.69755 4.93836 5.35861 4.12785 7.50925 3.62753 11.7964 5.72008 8.61641 11.9491 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 7.69755 4.93836 5.35861 6.83349 6.96722 3.65203 11.7964 5.72008 8.61641 7.61085 numMergedOcc 0
5 mol 83 unq 2 iso 0 dist 9.64197 8.82563 5.35861 9.58199 7.50925 3.62753 11.9669 5.72008 8.61641 11.9491 numMergedOcc 0
6 mol 83 unq 3 iso 0 dist 9.64197 8.82563 5.35861 8.6522 6.96722 3.65203 11.9669 5.72008 8.61641 7.61085 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.66427 12.4236 5.37869 5.26904 7.07839 10.0372 10.9038 2.58673 4.29937 9.52926 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 8.66427 12.4236 5.37869 11.9441 9.09711 11.8779 10.9038 2.58673 4.29937 10.9264 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.66427 12.4236 5.37869 13.8217 7.04244 3.65186 10.9038 2.58673 4.29937 6.67137 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 8.66427 12.4236 5.37869 6.77316 7.91193 11.7094 10.9038 2.58673 4.29937 10.4386 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 8.66427 12.4236 5.37869 9.54731 9.63449 12.2971 10.9038 2.58673 4.29937 9.78707 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 8.66427 9.61831 4.05415 5.26904 7.07839 8.78995 10.9038 2.58673 3.65628 9.52926 numMergedOcc 0
13 mol 85 unq 6 iso 0 dist 8.66427 9.61831 4.05415 11.9441 9.09711 12.4835 10.9038 2.58673 3.65628 10.9264 numMergedOcc 0
14 mol 85 unq 7 iso 0 dist 8.66427 9.61831 4.05415 13.8217 7.04244 7.00044 10.9038 2.58673 3.65628 6.67137 numMergedOcc 0
15 mol 85 unq 8 iso 0 dist 8.66427 9.61831 4.05415 6.77316 7.91193 10.7591 10.9038 2.58673 3.65628 10.4386 numMergedOcc 0
16 mol 85 unq 9 iso 0 dist 8.66427 9.61831 4.05415 9.54731 9.63449 8.64367 10.9038 2.58673 3.65628 9.78707 numMergedOcc 0
17 mol 85 unq 10 iso 0 dist 8.66427 11.3963 9.97944 5.26904 7.07839 14.2664 10.9038 2.58673 9.77774 9.52926 numMergedOcc 0
18 mol 85 unq 11 iso 0 dist 8.66427 11.3963 9.97944 11.9441 9.09711 17.9023 10.9038 2.58673 9.77774 10.9264 numMergedOcc 0
19 mol 85 unq 12 iso 0 dist 8.66427 11.3963 9.97944 13.8217 7.04244 16.1804 10.9038 2.58673 9.77774 6.67137 numMergedOcc 0
20 mol 85 unq 13 iso 0 dist 8.66427 11.3963 9.97944 6.77316 7.91193 15.1209 10.9038 2.58673 9.77774 10.4386 numMergedOcc 0
21 mol 85 unq 14 iso 0 dist 8.66427 11.3963 9.97944 9.54731 9.63449 3.21259 10.9038 2.58673 9.77774 9.78707 numMergedOcc 0
22 mol 85 unq 15 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 8.49887 2.58673 5.37869 7.04244 numMergedOcc 0
23 mol 85 unq 16 iso 0 dist 7.51319 8.08787 4.29937 17.0873 9.78707 12.2971 8.49887 2.58673 5.37869 9.63449 numMergedOcc 0
24 mol 85 unq 17 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 8.49887 2.58673 4.05415 7.04244 numMergedOcc 0
25 mol 85 unq 18 iso 0 dist 7.51319 10.4844 3.65628 17.0873 9.78707 8.64367 8.49887 2.58673 4.05415 9.63449 numMergedOcc 0
26 mol 85 unq 19 iso 0 dist 7.51319 16.4231 9.77774 6.90443 6.67137 16.1804 8.49887 2.58673 9.97944 7.04244 numMergedOcc 0
27 mol 85 unq 20 iso 0 dist 7.51319 16.4231 9.77774 17.0873 9.78707 3.21259 8.49887 2.58673 9.97944 9.63449 numMergedOcc 0
28 mol 85 unq 21 iso 0 dist 8.49887 8.08787 5.37869 13.5026 7.07839 10.0372 7.51319 2.58673 4.29937 9.52926 numMergedOcc 0
29 mol 85 unq 22 iso 0 dist 8.49887 8.08787 5.37869 10.1386 9.09711 11.8779 7.51319 2.58673 4.29937 10.9264 numMergedOcc 0
30 mol 85 unq 23 iso 0 dist 8.49887 8.08787 5.37869 6.90443 7.04244 3.65186 7.51319 2.58673 4.29937 6.67137 numMergedOcc 0
31 mol 85 unq 24 iso 0 dist 8.49887 8.08787 5.37869 13.1772 7.91193 11.7094 7.51319 2.58673 4.29937 10.4386 numMergedOcc 0
32 mol 85 unq 25 iso 0 dist 8.49887 8.08787 5.37869 17.0873 9.63449 12.2971 7.51319 2.58673 4.29937 9.78707 numMergedOcc 0
33 mol 85 unq 26 iso 0 dist 8.49887 10.4844 4.05415 13.5026 7.07839 8.78995 7.51319 2.58673 3.65628 9.52926 numMergedOcc 0
34 mol 85 unq 27 iso 0 dist 8.49887 10.4844 4.05415 10.1386 9.09711 12.4835 7.51319 2.58673 3.65628 10.9264 numMergedOcc 0
35 mol 85 unq 28 iso 0 dist 8.49887 10.4844 4.05415 6.90443 7.04244 7.00044 7.51319 2.58673 3.65628 6.67137 numMergedOcc 0
36 mol 85 unq 29 iso 0 dist 8.49887 10.4844 4.05415 13.1772 7.91193 10.7591 7.51319 2.58673 3.65628 10.4386 numMergedOcc 0
37 mol 85 unq 30 iso 0 dist 8.49887 10.4844 4.05415 17.0873 9.63449 8.64367 7.51319 2.58673 3.65628 9.78707 numMergedOcc 0
38 mol 85 unq 31 iso 0 dist 8.49887 16.4231 9.97944 13.5026 7.07839 14.2664 7.51319 2.58673 9.77774 9.52926 numMergedOcc 0
39 mol 85 unq 32 iso 0 dist 8.49887 16.4231 9.97944 10.1386 9.09711 17.9023 7.51319 2.58673 9.77774 10.9264 numMergedOcc 0
40 mol 85 unq 33 iso 0 dist 8.49887 16.4231 9.97944 6.90443 7.04244 16.1804 7.51319 2.58673 9.77774 6.67137 numMergedOcc 0
41 mol 85 unq 34 iso 0 dist 8.49887 16.4231 9.97944 13.1772 7.91193 15.1209 7.51319 2.58673 9.77774 10.4386 numMergedOcc 0
42 mol 85 unq 35 iso 0 dist 8.49887 16.4231 9.97944 17.0873 9.63449 3.21259 7.51319 2.58673 9.77774 9.78707 numMergedOcc 0
43 mol 85 unq 36 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 10.329 2.58673 5.37869 7.04244 numMergedOcc 0
44 mol 85 unq 37 iso 0 dist 9.43839 11.053 4.29937 4.43737 9.78707 12.2971 10.329 2.58673 5.37869 9.63449 numMergedOcc 0
45 mol 85 unq 38 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 10.329 2.58673 4.05415 7.04244 numMergedOcc 0
46 mol 85 unq 39 iso 0 dist 9.43839 7.97629 3.65628 4.43737 9.78707 8.64367 10.329 2.58673 4.05415 9.63449 numMergedOcc 0
47 mol 85 unq 40 iso 0 dist 9.43839 5.46713 9.77774 14.6513 6.67137 16.1804 10.329 2.58673 9.97944 7.04244 numMergedOcc 0
48 mol 85 unq 41 iso 0 dist 9.43839 5.46713 9.77774 4.43737 9.78707 3.21259 10.329 2.58673 9.97944 9.63449 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 7.56217 5.39223 4.45769 11.7008 5.10542 9.23342 9.81055 3.78714 5.89939 4.68722 numMergedOcc 0
50 mol 194 unq 1 iso 0 dist 7.56217 7.15294 8.99961 11.7008 5.10542 11.7699 9.81055 3.78714 8.18853 4.68722 numMergedOcc 0
51 mol 194 unq 2 iso 0 dist 9.81055 5.39223 5.89939 11.7008 4.68722 9.23342 7.56217 3.78714 4.45769 5.10542 numMergedOcc 0
52 mol 194 unq 3 iso 0 dist 9.81055 5.39223 5.89939 14.7138 5.18325 10.3782 7.56217 3.78714 4.45769 7.52366 numMergedOcc 0
53 mol 194 unq 4 iso 0 dist 9.81055 7.15294 8.18853 11.7008 4.68722 11.7699 7.56217 3.78714 8.99961 5.10542 numMergedOcc 0
54 mol 194 unq 5 iso 0 dist 9.81055 7.15294 8.18853 14.7138 5.18325 13.0759 7.56217 3.78714 8.99961 7.52366 numMergedOcc 0
55 mol 204 unq 0 iso 0 dist 8.77524 5.9943 7.33774 10.6524 8.32259 4.7839 8.59764 8.59834 6.39122 8.54737 numMergedOcc 0
56 mol 204 unq 1 iso 0 dist 8.77524 5.9943 7.33774 9.88337 9.93489 4.05102 8.59764 8.59834 6.39122 7.64057 numMergedOcc 0
57 mol 204 unq 2 iso 0 dist 9.26192 9.9686 7.98864 13.8736 9.93489 5.80328 10.6368 2.95898 8.23717 8.32259 numMergedOcc 0
58 mol 204 unq 3 iso 0 dist 9.26192 9.9686 7.98864 6.40044 7.64057 3.68217 10.6368 2.95898 8.23717 8.54737 numMergedOcc 0
59 mol 214 unq 0 iso 0 dist 9.53899 10.0389 7.66702 6.49466 7.42759 3.64285 10.3757 2.86233 7.70062 7.96338 numMergedOcc 0
60 mol 266 unq 0 iso 0 dist 6.48382 7.90149 8.20376 5.79323 6.96692 3.68488 14.5631 11.938 7.72861 10.9313 numMergedOcc 0
61 mol 266 unq 1 iso 0 dist 6.48382 7.90149 8.20376 7.52317 8.25286 3.14784 14.5631 11.938 7.72861 7.8598 numMergedOcc 0
62 mol 266 unq 2 iso 0 dist 6.48382 7.90149 8.20376 9.52953 9.9965 5.95721 14.5631 11.938 7.72861 7.80711 numMergedOcc 0
63 mol 285 unq 0 iso 0 dist 4.95596 5.62841 4.27826 4.57431 5.88958 3.14843 6.3508 4.87372 5.82074 7.78121 numMergedOcc 0
64 mol 285 unq 1 iso 0 dist 6.3508 5.62841 5.82074 4.57431 7.78121 3.14843 4.95596 4.87372 4.27826 5.88958 numMergedOcc 0
