0 mol 0 unq 0 iso 0 dist 9.6994 8.13129 6.40255 15.8251 10.5702 9.14271 12.8912 9.78068 4.99728 6.91778 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 9.07223 6.40255 12.6486 10.5702 9.14271 13.1231 9.78068 4.99728 6.91778 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.60499 7.5706 10.5551 8.43473 6.02702 6.04832 11.0773 11.8172 4.87279 8.72114 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41585 6.28925 10.6847 5.03847 10.3148 6.04832 10.6581 15.8875 10.5551 6.02702 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.41585 6.28925 10.6847 5.03847 10.3148 6.04832 10.5461 12.2041 4.87279 8.72114 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 7.10621 8.70159 4.87279 13.8829 8.72114 6.04832 18.3807 11.8172 10.5551 6.02702 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 4.29582 7.07399 9.41935 9.88835 11.0528 14.8121 5.89412 numMergedOcc 0
7 mol 15 unq 1 iso 0 dist 9.97507 7.876 8.20465 4.29582 11.7302 9.41935 9.88835 16.8845 14.8121 5.89412 numMergedOcc 0
8 mol 15 unq 2 iso 0 dist 9.97507 7.876 8.20465 4.29582 11.7302 9.41935 8.38064 9.03536 5.88545 7.07399 numMergedOcc 0
9 mol 15 unq 3 iso 0 dist 6.82505 8.63502 8.20465 8.72342 11.7302 9.41935 14.206 16.8845 14.8121 5.89412 numMergedOcc 0
10 mol 15 unq 4 iso 0 dist 6.82505 8.63502 8.20465 8.72342 11.7302 9.41935 10.4158 9.03536 5.88545 7.07399 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.47541 7.07868 9.87083 4.65335 10.0796 8.60839 7.66905 5.42586 11.3372 7.54568 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.47541 7.07868 9.87083 4.65335 10.0796 8.60839 5.73196 6.87425 4.60756 9.39864 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 7.66905 7.07868 11.3372 4.65335 7.54568 8.60839 5.73196 10.1164 4.60756 9.39864 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 5.73196 7.07868 4.60756 4.65335 9.39864 8.60839 7.66905 10.1164 11.3372 7.54568 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 5.42531 10.9242 6.84692 10.1489 8.98304 8.07089 7.01812 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.87449 4.5985 5.1283 5.42531 10.9242 6.84692 13.2001 14.5815 12.8256 8.30845 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 7.17106 8.20656 8.07089 8.4128 7.01812 6.84692 10.5134 5.88134 12.8256 8.30845 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 9.35224 7.5951 6.35939 4.97045 10.0635 6.87566 6.56369 5.88134 4.46114 8.76378 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 4.54648 6.16242 6.49688 6.80239 7.81217 4.70102 5.87634 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 4.54648 5.87634 6.49688 6.29155 7.81217 5.47259 6.16242 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 7.11802 9.64695 6.56917 12.538 10.9061 6.49688 13.268 11.965 5.47259 6.16242 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 7.11802 9.64695 6.56917 12.538 10.9061 6.49688 12.6651 7.79672 4.70102 5.87634 numMergedOcc 0
23 mol 133 unq 4 iso 0 dist 8.00618 4.51266 6.56917 4.54648 10.9061 6.49688 6.29155 11.965 5.47259 6.16242 numMergedOcc 0
24 mol 133 unq 5 iso 0 dist 8.00618 4.51266 6.56917 4.54648 10.9061 6.49688 6.80239 7.79672 4.70102 5.87634 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 5.63555 10.4943 6.2176 7.63312 8.85576 5.83639 5.9176 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 8.34494 7.72403 10.3378 13.8349 18.7983 9.38888 13.3467 20.2886 13.1319 7.32499 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 6.56247 7.72403 8.83842 13.8349 17.6227 9.38888 13.3467 19.022 13.1319 7.32499 numMergedOcc 0
28 mol 234 unq 2 iso 0 dist 9.36357 7.72403 5.43327 13.8349 12.6238 9.38888 13.3467 16.0265 13.1319 7.32499 numMergedOcc 0
29 mol 234 unq 3 iso 0 dist 9.45496 6.35438 8.83842 10.0059 17.6227 9.38888 10.3625 19.022 13.1319 7.32499 numMergedOcc 0
30 mol 234 unq 4 iso 0 dist 6.7625 6.35438 5.43327 10.0059 12.6238 9.38888 10.3625 16.0265 13.1319 7.32499 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 6.60405 8.14531 4.88549 5.63675 7.21311 7.05518 10.5548 12.321 8.46375 9.63959 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 6.60405 8.14531 4.88549 5.63675 7.21311 7.05518 14.3043 10.7374 7.98112 9.96262 numMergedOcc 0
33 mol 258 unq 2 iso 0 dist 6.42289 8.14531 10.8069 5.63675 11.2102 7.05518 10.5548 15.3294 8.46375 9.63959 numMergedOcc 0
34 mol 258 unq 3 iso 0 dist 6.42289 8.14531 10.8069 5.63675 11.2102 7.05518 14.3043 17.8129 7.98112 9.96262 numMergedOcc 0
35 mol 258 unq 4 iso 0 dist 6.42289 8.14531 10.8069 5.63675 11.2102 7.05518 6.60405 7.26417 4.88549 7.21311 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 6.92774 6.70271 5.93427 9.25493 12.8175 8.25037 9.01049 7.03728 5.29565 8.49177 numMergedOcc 0
37 mol 273 unq 1 iso 0 dist 9.01049 9.82018 11.528 4.60101 11.6152 6.83684 13.3579 19.565 9.75887 8.83865 numMergedOcc 0
38 mol 273 unq 2 iso 0 dist 9.01049 9.82018 11.528 4.60101 11.6152 6.83684 13.4294 18.0621 7.29345 9.18157 numMergedOcc 0
39 mol 273 unq 3 iso 0 dist 9.2983 6.70271 11.0848 9.25493 12.7219 8.25037 9.01049 8.05475 5.29565 8.49177 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 7.56915 6.92434 5.87456 5.29529 8.52587 5.0002 11.3168 11.3308 6.38211 6.39866 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 8.49997 6.92434 8.58007 5.29529 11.6126 5.0002 7.56915 6.33073 5.87456 8.52587 numMergedOcc 0
42 mol 274 unq 2 iso 0 dist 8.49997 6.92434 8.58007 5.29529 11.6126 5.0002 11.3168 14.9562 6.38211 6.39866 numMergedOcc 0
