0 mol 0 unq 0 iso 0 dist 7.96742 5.55156 11.962 7.16694 14.4281 6.94181 7.1599 15.0192 7.15528 5.47921 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.24206 9.5614 13.3337 9.40697 12.4868 6.94181 5.25456 7.37981 7.15528 5.47921 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 6.19218 9.5614 6.83587 9.40697 10.9707 6.94181 5.25456 7.19621 7.15528 5.47921 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.19397 5.55156 6.83587 7.16694 10.9707 6.94181 7.1599 7.19621 7.15528 5.47921 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 8.0166 6.22805 5.70161 5.85668 6.0323 7.15434 6.96396 12.2471 7.10621 11.2706 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 9.32945 6.22805 4.57188 5.85668 10.2084 7.15434 6.96396 10.2729 7.10621 11.2706 numMergedOcc 0
6 mol 7 unq 2 iso 0 dist 9.90117 6.22805 6.09254 5.85668 12.9667 7.15434 6.96396 7.21217 7.10621 11.2706 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 9.31149 9.04834 9.14256 9.19152 14.0866 6.28033 6.05535 10.2723 4.7319 5.40044 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 8.28673 4.68793 10.9806 11.44 19.1373 8.52313 5.72331 13.7715 6.19529 8.25852 numMergedOcc 0
9 mol 51 unq 0 iso 0 dist 7.95419 9.06397 5.27155 8.26107 12.263 9.23497 12.8917 13.9156 9.0709 6.03084 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 6.13631 7.84699 6.10011 6.58444 11.905 5.93252 8.3449 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 6.13631 7.84699 8.124 10.5627 6.89722 6.19304 13.4367 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 6.13631 8.40844 6.10011 6.58444 14.8258 5.93252 8.3449 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 6.13631 8.40844 8.124 10.5627 7.26679 6.19304 13.4367 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.60363 4.24428 10.4402 6.13631 6.99156 6.10011 6.58444 14.0323 5.93252 8.3449 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 8.60363 6.30194 8.0624 6.13631 6.99156 8.124 10.5627 10.1503 6.19304 13.4367 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 7.89636 7.118 6.33557 10.7293 10.7134 8.2147 5.06305 10.6919 7.79912 13.5815 numMergedOcc 0
17 mol 75 unq 1 iso 0 dist 9.49608 7.118 9.95193 10.7293 15.7928 8.2147 5.06305 11.1009 7.79912 13.5815 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 9.16553 15.2864 8.96916 6.89762 11.5472 6.45675 5.92158 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 7.67341 8.35604 5.39296 9.50302 10.999 6.55511 5.3967 6.7225 5.11551 5.47689 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 7.67341 8.35604 5.39296 9.50302 10.999 6.55511 11.9798 10.2695 7.11972 6.00348 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 11.9931 8.58709 6.21273 10.6943 9.8711 9.23153 5.1021 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 7.86207 8.9077 4.90657 11.9931 8.58709 6.21273 15.396 12.6756 8.24498 6.29601 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 11.8106 12.0105 5.62804 7.37154 11.1105 6.7547 6.33989 numMergedOcc 0
24 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 11.2815 12.0105 5.62804 9.0274 11.1105 6.7547 6.33989 numMergedOcc 0
25 mol 230 unq 2 iso 0 dist 8.4739 9.12305 9.94041 11.2815 13.9136 5.62804 9.0274 14.5397 6.7547 6.33989 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 16.9546 14.5058 9.95045 10.134 11.2186 8.27212 12.5761 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 9.44182 12.5656 6.83046 12.1502 15.8376 6.16342 4.77446 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 6.08181 8.81059 13.8694 5.79358 10.9114 8.21585 9.78068 15.2652 6.42289 5.13233 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 7.70189 8.81059 9.22664 5.79358 6.59521 8.21585 9.78068 8.58088 6.42289 5.13233 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 5.72823 9.56414 9.95681 6.5875 10.2386 8.02547 5.79827 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 6.41477 9.43169 8.80293 5.72823 9.56414 9.05762 6.5875 10.2386 6.05727 5.79827 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 5.46523 13.9472 5.3051 12.5953 15.5946 8.4218 11.4819 numMergedOcc 0
33 mol 265 unq 1 iso 0 dist 6.5072 7.54805 12.4903 5.46523 11.5573 5.3051 12.5953 17.4584 8.4218 11.4819 numMergedOcc 0
34 mol 265 unq 2 iso 0 dist 4.03921 7.54805 5.11366 5.46523 5.10595 5.3051 12.5953 12.3211 8.4218 11.4819 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 7.50321 6.62923 7.55961 11.1133 13.3976 7.31993 11.9042 16.9946 9.97651 7.33684 numMergedOcc 0
36 mol 272 unq 1 iso 0 dist 7.50321 6.62923 7.55961 11.1133 13.3976 7.31993 5.27123 12.4617 8.46116 10.4451 numMergedOcc 0
37 mol 272 unq 2 iso 0 dist 9.61597 6.62923 5.43733 11.1133 11.3096 7.31993 11.9042 15.2989 9.97651 7.33684 numMergedOcc 0
38 mol 272 unq 3 iso 0 dist 9.61597 6.62923 5.43733 11.1133 11.3096 7.31993 5.27123 13.2205 8.46116 10.4451 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 6.33183 12.136 8.78883 6.11218 7.80446 9.10818 7.48637 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 7.21004 6.21831 4.97216 6.33183 5.68643 8.78883 6.11218 9.91395 9.10818 7.48637 numMergedOcc 0
41 mol 274 unq 2 iso 0 dist 6.44266 8.3291 6.57235 9.34663 12.136 8.78883 6.98398 7.80446 9.10818 7.48637 numMergedOcc 0
42 mol 274 unq 3 iso 0 dist 8.75703 8.3291 4.97216 9.34663 5.68643 8.78883 6.98398 9.91395 9.10818 7.48637 numMergedOcc 0
43 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 10.5216 9.9227 8.80588 12.0417 11.1402 6.53701 8.30978 numMergedOcc 0
44 mol 280 unq 1 iso 0 dist 7.3304 8.27417 4.95798 10.5216 9.9227 8.80588 7.26698 8.85762 6.0664 5.80223 numMergedOcc 0
