0 mol 0 unq 0 iso 0 dist 8.24206 6.19218 9.98828 9.5614 13.3337 6.83587 5.25456 7.37981 7.19621 7.15528 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 8.24206 9.98828 9.5614 6.83587 13.3337 5.25456 7.19621 7.37981 7.15528 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 7.96742 12.7706 5.55156 6.83587 11.962 7.1599 7.19621 15.0192 7.15528 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.32945 8.0166 5.63739 6.22805 4.57188 5.70161 17.302 9.85726 13.148 11.0773 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 9.32945 9.90117 5.38328 6.22805 4.57188 6.09254 17.302 9.85726 10.8678 11.0773 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 9.90117 8.0166 10.2796 6.22805 6.09254 5.70161 6.96396 7.21217 12.2471 7.10621 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 9.90117 9.32945 5.38328 6.22805 6.09254 4.57188 6.96396 7.21217 10.2729 7.10621 numMergedOcc 0
7 mol 38 unq 0 iso 0 dist 5.86972 7.55357 9.56267 8.86547 10.4994 5.29179 7.46414 9.23576 12.6659 10.3882 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.39171 9.27355 5.47475 4.24428 8.04817 9.76331 10.5627 6.89722 7.26679 11.4799 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.39171 9.27355 5.47475 6.30194 5.2774 5.44275 10.5627 6.89722 7.26679 6.19304 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.39171 8.60363 5.05066 4.24428 8.04817 10.4402 10.5627 6.89722 10.1503 11.4799 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.39171 8.60363 5.05066 6.30194 5.2774 8.0624 10.5627 6.89722 10.1503 6.19304 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 10.8067 9.68526 11.7436 8.9232 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 10.5627 7.26679 6.89722 11.4799 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 9.27355 5.39171 5.47475 4.24428 9.76331 8.04817 17.4113 9.30776 14.4206 16.0453 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 10.8067 9.68526 11.7436 10.2049 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 10.5627 7.26679 6.89722 6.19304 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 9.27355 5.39171 5.47475 6.30194 5.44275 5.2774 17.4113 9.30776 14.4206 11.6369 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 10.8067 9.68526 9.72442 8.9232 numMergedOcc 0
19 mol 73 unq 11 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 10.5627 7.26679 10.1503 11.4799 numMergedOcc 0
20 mol 73 unq 12 iso 0 dist 9.27355 8.60363 4.4628 4.24428 9.76331 10.4402 17.4113 9.30776 13.2514 16.0453 numMergedOcc 0
21 mol 73 unq 13 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 10.8067 9.68526 9.72442 10.2049 numMergedOcc 0
22 mol 73 unq 14 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 10.5627 7.26679 10.1503 6.19304 numMergedOcc 0
23 mol 73 unq 15 iso 0 dist 9.27355 8.60363 4.4628 6.30194 5.44275 8.0624 17.4113 9.30776 13.2514 11.6369 numMergedOcc 0
24 mol 73 unq 16 iso 0 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 10.8067 9.72442 11.7436 8.9232 numMergedOcc 0
25 mol 73 unq 17 iso 0 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 16.3515 9.02288 11.1478 18.5645 numMergedOcc 0
26 mol 73 unq 18 iso 0 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 10.8067 9.72442 11.7436 10.2049 numMergedOcc 0
27 mol 73 unq 19 iso 0 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 16.3515 9.02288 11.1478 14.305 numMergedOcc 0
28 mol 73 unq 20 iso 0 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 10.8067 9.72442 9.68526 8.9232 numMergedOcc 0
29 mol 73 unq 21 iso 0 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 16.3515 9.02288 9.75201 18.5645 numMergedOcc 0
30 mol 73 unq 22 iso 0 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 10.8067 9.72442 9.68526 10.2049 numMergedOcc 0
31 mol 73 unq 23 iso 0 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 16.3515 9.02288 9.75201 14.305 numMergedOcc 0
32 mol 102 unq 0 iso 0 dist 5.43401 8.63522 3.9342 7.48277 9.76734 10.8684 7.49575 9.10229 12.8661 12.0341 numMergedOcc 0
33 mol 102 unq 1 iso 0 dist 5.43401 8.63522 3.9342 9.0361 8.17186 10.2218 7.49575 9.10229 12.8661 7.36792 numMergedOcc 0
34 mol 114 unq 0 iso 0 dist 5.31281 8.9922 5.67339 9.24515 7.18757 7.13921 7.65733 7.25166 12.8848 12.6649 numMergedOcc 0
35 mol 114 unq 1 iso 0 dist 5.31281 8.9922 5.67339 9.24515 7.18757 7.13921 5.24877 8.42445 10.2889 7.5732 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 9.6582 5.17734 8.94234 5.97805 12.6081 5.26273 16.3678 9.48243 13.7358 18.8285 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 5.73338 8.69888 10.7272 5.6234 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 6.21546 8.6609 6.77498 9.45659 7.39186 11.0866 5.73338 8.69888 10.7272 6.57069 numMergedOcc 0
39 mol 175 unq 2 iso 0 dist 6.21546 8.6609 6.77498 9.44856 7.05768 13.5907 5.73338 8.69888 10.7272 9.7158 numMergedOcc 0
40 mol 175 unq 3 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 5.73338 8.69888 5.08206 5.6234 numMergedOcc 0
41 mol 175 unq 4 iso 0 dist 6.21546 6.03184 7.01839 9.45659 7.39186 5.77256 5.73338 8.69888 5.08206 6.57069 numMergedOcc 0
42 mol 175 unq 5 iso 0 dist 6.21546 6.03184 7.01839 9.44856 7.05768 4.96871 5.73338 8.69888 5.08206 9.7158 numMergedOcc 0
43 mol 175 unq 6 iso 0 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 5.52686 9.57611 13.3201 12.0591 numMergedOcc 0
44 mol 175 unq 7 iso 0 dist 6.03184 8.6609 12.0951 6.73365 7.28617 6.15969 5.73338 5.08206 10.7272 5.6234 numMergedOcc 0
45 mol 175 unq 8 iso 0 dist 6.03184 8.6609 12.0951 9.45659 5.77256 11.0866 5.52686 9.57611 13.3201 14.3157 numMergedOcc 0
46 mol 175 unq 9 iso 0 dist 6.03184 8.6609 12.0951 9.45659 5.77256 11.0866 5.73338 5.08206 10.7272 6.57069 numMergedOcc 0
47 mol 175 unq 10 iso 0 dist 6.03184 8.6609 12.0951 9.44856 4.96871 13.5907 5.52686 9.57611 13.3201 13.1497 numMergedOcc 0
48 mol 175 unq 11 iso 0 dist 6.03184 8.6609 12.0951 9.44856 4.96871 13.5907 5.73338 5.08206 10.7272 9.7158 numMergedOcc 0
49 mol 175 unq 12 iso 0 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 5.52686 9.57611 11.3646 12.0591 numMergedOcc 0
50 mol 175 unq 13 iso 0 dist 6.03184 6.21546 7.01839 6.73365 7.28617 5.50014 5.73338 5.08206 8.69888 5.6234 numMergedOcc 0
51 mol 175 unq 14 iso 0 dist 6.03184 6.21546 7.01839 9.45659 5.77256 7.39186 5.52686 9.57611 11.3646 14.3157 numMergedOcc 0
52 mol 175 unq 15 iso 0 dist 6.03184 6.21546 7.01839 9.45659 5.77256 7.39186 5.73338 5.08206 8.69888 6.57069 numMergedOcc 0
53 mol 175 unq 16 iso 0 dist 6.03184 6.21546 7.01839 9.44856 4.96871 7.05768 5.52686 9.57611 11.3646 13.1497 numMergedOcc 0
54 mol 175 unq 17 iso 0 dist 6.03184 6.21546 7.01839 9.44856 4.96871 7.05768 5.73338 5.08206 8.69888 9.7158 numMergedOcc 0
55 mol 206 unq 0 iso 0 dist 7.65323 4.51269 7.34999 9.19263 7.40413 5.12592 6.68626 9.99185 10.9686 14.9092 numMergedOcc 0
56 mol 206 unq 1 iso 0 dist 7.65323 4.51269 7.34999 9.19263 7.40413 5.12592 7.20088 8.31638 10.1373 13.4144 numMergedOcc 0
57 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 8.07523 5.82028 4.62641 13.3929 9.67457 9.90494 6.18308 numMergedOcc 0
58 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 7.56882 5.82028 4.62641 12.3088 9.67457 9.90494 6.18308 numMergedOcc 0
59 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 8.47248 4.82712 7.84001 17.404 8.49704 14.249 11.9355 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 6.6537 9.08719 11.6002 7.04127 6.46679 7.85135 4.55824 9.75313 6.08709 6.61986 numMergedOcc 0
61 mol 224 unq 1 iso 0 dist 9.08719 6.6537 11.6002 7.04127 7.85135 6.46679 4.55824 6.08709 9.75313 6.61986 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 6.74214 5.33462 4.85921 8.89538 10.4952 7.22173 6.3873 9.31417 5.56719 10.3007 numMergedOcc 0
63 mol 238 unq 1 iso 0 dist 6.74214 5.33462 4.85921 7.98022 6.62361 5.96552 6.3873 9.31417 5.56719 5.72887 numMergedOcc 0
64 mol 238 unq 2 iso 0 dist 5.33462 6.74214 4.85921 8.89538 7.22173 10.4952 6.3873 5.56719 9.31417 10.3007 numMergedOcc 0
65 mol 238 unq 3 iso 0 dist 5.33462 6.74214 4.85921 7.98022 5.96552 6.62361 6.3873 5.56719 9.31417 5.72887 numMergedOcc 0
66 mol 258 unq 0 iso 0 dist 7.70189 6.08181 9.86352 9.67877 10.4667 5.09738 9.78068 8.58088 15.2652 17.2071 numMergedOcc 0
67 mol 258 unq 1 iso 0 dist 7.70189 6.08181 9.86352 8.81059 9.22664 13.8694 9.78068 8.58088 15.2652 6.42289 numMergedOcc 0
68 mol 258 unq 2 iso 0 dist 7.70189 6.08181 9.86352 9.12006 13.0489 14.0402 9.78068 8.58088 15.2652 10.1675 numMergedOcc 0
69 mol 265 unq 0 iso 0 dist 9.56472 6.5072 10.1588 7.54805 15.4199 12.4903 15.3912 9.72927 18.9075 18.8774 numMergedOcc 0
70 mol 265 unq 1 iso 0 dist 9.56472 4.03921 13.1954 7.54805 15.4199 5.11366 15.3912 9.72927 18.8298 18.8774 numMergedOcc 0
71 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 6.21831 6.57235 4.97216 6.11218 7.80446 9.91395 9.10818 numMergedOcc 0
72 mol 274 unq 1 iso 0 dist 9.07452 7.21004 10.3541 6.21831 6.57235 4.97216 11.3921 9.86142 13.506 13.0736 numMergedOcc 0
73 mol 274 unq 2 iso 0 dist 7.21004 9.07452 10.3541 6.21831 4.97216 6.57235 6.11218 9.91395 7.80446 9.10818 numMergedOcc 0
74 mol 274 unq 3 iso 0 dist 6.44266 8.75703 10.3541 9.79674 9.61244 10.7877 6.98398 7.80446 9.91395 15.2761 numMergedOcc 0
75 mol 274 unq 4 iso 0 dist 6.44266 8.75703 10.3541 9.79674 9.61244 10.7877 6.99898 9.86142 13.506 16.5774 numMergedOcc 0
76 mol 274 unq 5 iso 0 dist 6.44266 8.75703 10.3541 8.3291 6.57235 4.97216 6.98398 7.80446 9.91395 9.10818 numMergedOcc 0
77 mol 274 unq 6 iso 0 dist 6.44266 8.75703 10.3541 8.3291 6.57235 4.97216 6.99898 9.86142 13.506 13.0736 numMergedOcc 0
78 mol 274 unq 7 iso 0 dist 8.75703 6.44266 10.3541 9.79674 10.7877 9.61244 6.98398 9.91395 7.80446 15.2761 numMergedOcc 0
79 mol 274 unq 8 iso 0 dist 8.75703 6.44266 10.3541 8.3291 4.97216 6.57235 6.98398 9.91395 7.80446 9.10818 numMergedOcc 0
