0 mol 0 unq 0 iso 0 dist 8.24206 9.5614 13.3337 5.25456 7.37981 7.15528 13.5517 12.7599 7.19817 9.6994 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 9.5614 6.83587 5.25456 7.19621 7.15528 13.5517 9.95 7.19817 9.6994 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 5.55156 6.83587 7.1599 7.19621 7.15528 12.3538 9.95 7.19817 9.6994 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.32945 6.22805 4.57188 17.302 9.85726 11.0773 16.6563 11.5784 11.8172 9.60499 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 10.8592 5.35079 10.8455 6.31718 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 5.86972 8.86547 10.4994 7.46414 9.23576 10.3882 8.80956 7.35595 6.52757 7.50293 numMergedOcc 0
6 mol 38 unq 1 iso 0 dist 5.86972 8.86547 10.4994 7.46414 9.23576 10.3882 12.4417 8.59794 12.2636 9.91611 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 10.5627 6.89722 11.4799 10.392 10.4716 7.4697 9.96396 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.39171 4.24428 8.04817 10.5627 6.89722 11.4799 6.30194 5.2774 5.7113 6.19304 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 5.39171 4.24428 8.04817 10.5627 6.89722 11.4799 18.5427 13.9156 19.0652 8.70481 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 5.39171 6.30194 5.2774 10.5627 6.89722 6.19304 10.392 10.4716 5.4148 9.96396 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 5.39171 6.30194 5.2774 10.5627 6.89722 6.19304 18.5427 13.9156 13.3558 8.70481 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 9.27355 4.24428 9.76331 10.8067 9.68526 8.9232 10.392 8.31041 7.4697 9.38498 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 9.27355 4.24428 9.76331 10.5627 7.26679 11.4799 10.392 8.31041 7.4697 9.96396 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 9.27355 4.24428 9.76331 10.5627 7.26679 11.4799 6.30194 5.44275 5.7113 6.19304 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 9.27355 4.24428 9.76331 10.5627 7.26679 11.4799 18.5427 11.2674 19.0652 8.70481 numMergedOcc 0
16 mol 73 unq 9 iso 0 dist 9.27355 4.24428 9.76331 17.4113 9.30776 16.0453 10.392 8.31041 7.4697 9.75218 numMergedOcc 0
17 mol 73 unq 10 iso 0 dist 9.27355 6.30194 5.44275 10.8067 9.68526 10.2049 10.392 8.31041 5.4148 9.38498 numMergedOcc 0
18 mol 73 unq 11 iso 0 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 10.392 8.31041 5.4148 9.96396 numMergedOcc 0
19 mol 73 unq 12 iso 0 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 18.5427 11.2674 13.3558 8.70481 numMergedOcc 0
20 mol 73 unq 13 iso 0 dist 9.27355 6.30194 5.44275 17.4113 9.30776 11.6369 10.392 8.31041 5.4148 9.75218 numMergedOcc 0
21 mol 73 unq 14 iso 0 dist 8.60363 4.24428 10.4402 10.8067 9.72442 8.9232 10.392 11.7069 7.4697 9.38498 numMergedOcc 0
22 mol 73 unq 15 iso 0 dist 8.60363 6.30194 8.0624 10.8067 9.72442 10.2049 10.392 11.7069 5.4148 9.38498 numMergedOcc 0
23 mol 102 unq 0 iso 0 dist 5.43401 7.48277 9.76734 7.49575 9.10229 12.0341 9.0361 8.17186 9.15076 7.36792 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 5.3967 6.7225 11.2489 8.35604 5.39296 10.2788 5.11551 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 9.6582 5.97805 12.6081 16.3678 9.48243 18.8285 19.1009 11.6637 23.5152 9.91388 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 6.21546 6.73365 5.50014 5.73338 8.69888 5.6234 12.3723 11.5099 6.2715 9.0018 numMergedOcc 0
27 mol 175 unq 1 iso 0 dist 6.21546 6.73365 5.50014 5.73338 8.69888 5.6234 9.45659 7.39186 5.35493 6.57069 numMergedOcc 0
28 mol 175 unq 2 iso 0 dist 6.21546 9.45659 7.39186 5.73338 8.69888 6.57069 12.3723 11.5099 8.16421 9.0018 numMergedOcc 0
29 mol 175 unq 3 iso 0 dist 6.21546 9.45659 7.39186 5.73338 8.69888 6.57069 6.73365 5.50014 5.35493 5.6234 numMergedOcc 0
30 mol 175 unq 4 iso 0 dist 6.21546 9.44856 7.05768 5.73338 8.69888 9.7158 12.3723 11.5099 14.5923 9.0018 numMergedOcc 0
31 mol 175 unq 5 iso 0 dist 6.21546 9.44856 7.05768 5.73338 8.69888 9.7158 6.73365 5.50014 9.63234 5.6234 numMergedOcc 0
32 mol 175 unq 6 iso 0 dist 6.21546 9.44856 7.05768 5.73338 8.69888 9.7158 9.45659 7.39186 6.80157 6.57069 numMergedOcc 0
33 mol 175 unq 7 iso 0 dist 6.03184 6.73365 7.28617 5.73338 5.08206 5.6234 12.3723 12.1783 6.2715 9.0018 numMergedOcc 0
34 mol 175 unq 8 iso 0 dist 6.03184 6.73365 7.28617 5.73338 5.08206 5.6234 9.45659 5.77256 5.35493 6.57069 numMergedOcc 0
35 mol 175 unq 9 iso 0 dist 6.03184 9.45659 5.77256 5.73338 5.08206 6.57069 12.3723 12.1783 8.16421 9.0018 numMergedOcc 0
36 mol 175 unq 10 iso 0 dist 6.03184 9.45659 5.77256 5.73338 5.08206 6.57069 6.73365 7.28617 5.35493 5.6234 numMergedOcc 0
37 mol 175 unq 11 iso 0 dist 6.03184 9.44856 4.96871 5.73338 5.08206 9.7158 12.3723 12.1783 14.5923 9.0018 numMergedOcc 0
38 mol 175 unq 12 iso 0 dist 6.03184 9.44856 4.96871 5.73338 5.08206 9.7158 6.73365 7.28617 9.63234 5.6234 numMergedOcc 0
39 mol 175 unq 13 iso 0 dist 6.03184 9.44856 4.96871 5.73338 5.08206 9.7158 9.45659 5.77256 6.80157 6.57069 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 17.404 8.49704 11.9355 18.7061 12.4611 12.1198 9.65138 numMergedOcc 0
41 mol 214 unq 1 iso 0 dist 9.81136 8.47248 4.82712 17.404 8.49704 11.9355 17.5046 11.832 14.0682 7.14453 numMergedOcc 0
42 mol 214 unq 2 iso 0 dist 9.81136 8.47248 4.82712 17.404 8.49704 11.9355 18.1374 10.644 10.3105 8.85478 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 9.04374 4.91322 4.70378 6.57273 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 15.1903 12.979 11.5372 5.78342 numMergedOcc 0
45 mol 224 unq 2 iso 0 dist 7.62593 4.79841 5.41021 12.5358 7.39839 9.99123 14.7665 7.65225 10.9861 6.65832 numMergedOcc 0
46 mol 224 unq 3 iso 0 dist 7.62593 4.79841 5.41021 12.5358 7.39839 9.99123 9.04374 4.91322 4.70378 6.60589 numMergedOcc 0
47 mol 224 unq 4 iso 0 dist 7.62593 4.79841 5.41021 12.5358 7.39839 9.99123 15.1903 12.979 11.5372 9.16166 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 6.74214 8.89538 10.4952 6.3873 9.31417 10.3007 7.98022 6.62361 13.0839 5.72887 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 5.33462 8.89538 7.22173 6.3873 5.56719 10.3007 7.98022 5.96552 13.0839 5.72887 numMergedOcc 0
50 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 9.48478 8.71859 7.69895 11.4848 6.33032 5.55137 7.21521 numMergedOcc 0
51 mol 248 unq 1 iso 0 dist 8.11968 6.44967 4.53213 9.48478 8.71859 7.69895 15.9246 11.762 10.8081 8.2965 numMergedOcc 0
52 mol 258 unq 0 iso 0 dist 7.70189 9.67877 10.4667 9.78068 8.58088 17.2071 14.0712 10.221 20.5034 6.60405 numMergedOcc 0
53 mol 258 unq 1 iso 0 dist 7.70189 9.67877 10.4667 9.78068 8.58088 17.2071 8.81059 9.22664 17.2075 6.42289 numMergedOcc 0
54 mol 258 unq 2 iso 0 dist 7.70189 8.81059 9.22664 9.78068 8.58088 6.42289 14.0712 10.221 7.26417 6.60405 numMergedOcc 0
55 mol 258 unq 3 iso 0 dist 7.70189 9.12006 13.0489 9.78068 8.58088 10.1675 14.0712 10.221 12.3211 6.60405 numMergedOcc 0
56 mol 258 unq 4 iso 0 dist 7.70189 9.12006 13.0489 9.78068 8.58088 10.1675 8.81059 9.22664 5.30627 6.42289 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 10.908 6.77279 8.13497 14.2826 7.55268 10.582 8.53687 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 11.7889 9.10984 4.86771 7.84554 numMergedOcc 0
59 mol 259 unq 2 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 11.1532 11.8501 6.96053 7.46176 numMergedOcc 0
60 mol 259 unq 3 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 17.4423 13.9868 10.4881 9.18903 numMergedOcc 0
61 mol 274 unq 0 iso 0 dist 6.44266 9.79674 9.61244 6.98398 7.80446 15.2761 8.3291 6.57235 9.12834 9.10818 numMergedOcc 0
62 mol 274 unq 1 iso 0 dist 8.75703 9.79674 10.7877 6.98398 9.91395 15.2761 8.3291 4.97216 9.12834 9.10818 numMergedOcc 0
63 mol 282 unq 0 iso 0 dist 7.93511 6.84554 4.58403 9.67023 5.67266 8.76532 14.1723 9.63727 10.0156 8.04483 numMergedOcc 0
64 mol 282 unq 1 iso 0 dist 7.93511 6.84554 4.58403 9.67023 5.67266 8.76532 9.51581 5.04235 4.66602 6.33524 numMergedOcc 0
65 mol 282 unq 2 iso 0 dist 7.93511 9.51581 5.04235 9.67023 5.67266 6.33524 14.1723 9.63727 5.39891 8.04483 numMergedOcc 0
66 mol 282 unq 3 iso 0 dist 7.93511 9.51581 5.04235 9.67023 5.67266 6.33524 6.84554 4.58403 4.66602 8.76532 numMergedOcc 0
67 mol 282 unq 4 iso 0 dist 5.62497 8.58671 4.85461 8.13794 9.63346 8.04483 14.7737 13.108 10.0156 8.76532 numMergedOcc 0
68 mol 282 unq 5 iso 0 dist 5.62497 8.58671 4.85461 8.13794 9.63346 8.04483 11.0247 8.85797 5.39891 6.33524 numMergedOcc 0
