0 mol 1 unq 0 iso 0 dist 8.27735 5.27206 9.00903 9.80295 6.09918 7.94662 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.88982 13.9585 7.10621 14.0137 5.72491 5.44992 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.8576 10.4545 8.41585 13.0722 7.88043 10.2446 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.8576 10.4545 8.41585 16.4052 8.80762 12.3097 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 7.25179 13.7 8.57077 13.647 9.78006 3.98483 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 8.72522 16.5569 8.57077 16.2983 9.78006 3.98483 numMergedOcc 0
6 mol 14 unq 0 iso 0 dist 8.51112 12.3645 9.04767 5.58434 9.58855 10.6873 numMergedOcc 0
7 mol 18 unq 0 iso 0 dist 8.51213 11.0081 9.51761 7.30279 7.55766 12.4713 numMergedOcc 0
8 mol 18 unq 1 iso 0 dist 8.51213 11.3758 7.3094 7.30279 7.55766 6.48196 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 9.90348 6.72502 6.58998 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 6.80849 10.1696 8.38394 9.90348 6.72502 6.59374 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 6.13982 6.90155 9.36158 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 6.00307 10.3928 7.17969 6.13982 6.90155 10.1525 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 7.34549 4.76147 8.34347 14.0065 8.44506 13.2876 numMergedOcc 0
14 mol 26 unq 1 iso 0 dist 8.09068 6.30129 8.34347 8.26538 8.44506 13.2876 numMergedOcc 0
15 mol 26 unq 2 iso 0 dist 9.72289 5.93227 8.34347 10.9934 8.44506 13.2876 numMergedOcc 0
16 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 13.4933 8.44903 5.48048 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 10.2492 7.26086 7.32662 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 4.31067 4.70157 6.48948 10.2492 7.26086 13.4985 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 4.31067 6.21302 6.10456 10.2492 7.26086 6.934 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 8.20009 10.7527 8.75408 15.3512 8.93905 7.27181 numMergedOcc 0
21 mol 120 unq 1 iso 0 dist 8.20009 5.6257 6.44653 15.3512 8.93905 10.5192 numMergedOcc 0
22 mol 120 unq 2 iso 0 dist 8.14799 9.8469 8.75408 14.3305 8.93905 7.27181 numMergedOcc 0
23 mol 120 unq 3 iso 0 dist 8.14799 5.0256 6.44653 14.3305 8.93905 10.5192 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 5.75556 8.03372 6.67948 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 13.8158 8.35555 5.59336 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 9.37459 4.82496 8.87437 13.8158 8.35555 10.9728 numMergedOcc 0
27 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 6.72936 4.92088 10.1489 numMergedOcc 0
28 mol 178 unq 1 iso 0 dist 7.14849 7.57303 6.43573 6.72936 4.92088 8.27339 numMergedOcc 0
29 mol 178 unq 2 iso 0 dist 7.14849 14.0459 7.17202 6.72936 4.92088 9.79302 numMergedOcc 0
30 mol 178 unq 3 iso 0 dist 7.14849 14.3001 8.81551 6.72936 4.92088 8.65097 numMergedOcc 0
31 mol 178 unq 4 iso 0 dist 8.63718 11.5509 6.69288 9.74054 4.92088 10.1489 numMergedOcc 0
32 mol 178 unq 5 iso 0 dist 8.63718 7.31401 6.43573 9.74054 4.92088 8.27339 numMergedOcc 0
33 mol 178 unq 6 iso 0 dist 8.63718 5.91018 7.17202 9.74054 4.92088 9.79302 numMergedOcc 0
34 mol 178 unq 7 iso 0 dist 8.63718 4.92895 8.81551 9.74054 4.92088 8.65097 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 4.41466 6.51749 13.8722 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 7.15963 6.73556 5.98885 4.41466 6.51749 5.93488 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 7.15963 5.49666 9.15386 4.41466 6.51749 7.64267 numMergedOcc 0
38 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 8.75405 6.85441 8.17229 numMergedOcc 0
39 mol 204 unq 1 iso 0 dist 6.20646 8.35604 8.51516 8.75405 6.85441 5.74707 numMergedOcc 0
40 mol 204 unq 2 iso 0 dist 6.73266 5.57112 7.10633 7.32929 6.85441 8.17229 numMergedOcc 0
41 mol 204 unq 3 iso 0 dist 6.73266 12.1292 8.51516 7.32929 6.85441 5.74707 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 10.0849 5.60393 5.28092 numMergedOcc 0
43 mol 206 unq 0 iso 0 dist 7.51923 5.39127 8.02137 7.21122 8.70977 6.3188 numMergedOcc 0
44 mol 206 unq 1 iso 0 dist 7.51923 5.1071 9.774 7.21122 8.70977 9.9412 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 6.15754 11.8245 8.34494 14.1265 8.24186 11.7705 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 14.1265 8.24186 5.63086 numMergedOcc 0
47 mol 234 unq 2 iso 0 dist 6.15754 14.0876 9.36357 14.1265 8.24186 5.6819 numMergedOcc 0
48 mol 234 unq 3 iso 0 dist 6.6281 6.65785 8.34494 14.0259 8.24186 11.7705 numMergedOcc 0
49 mol 234 unq 4 iso 0 dist 6.6281 10.0624 6.56247 14.0259 8.24186 5.63086 numMergedOcc 0
50 mol 234 unq 5 iso 0 dist 6.6281 13.9869 9.36357 14.0259 8.24186 5.6819 numMergedOcc 0
51 mol 234 unq 6 iso 0 dist 8.9413 12.4455 9.45496 14.1265 7.5366 5.63086 numMergedOcc 0
52 mol 234 unq 7 iso 0 dist 8.9413 14.0876 6.7625 14.1265 7.5366 5.6819 numMergedOcc 0
53 mol 234 unq 8 iso 0 dist 4.91961 11.5103 9.45496 8.3084 7.5366 5.63086 numMergedOcc 0
54 mol 234 unq 9 iso 0 dist 4.91961 4.98993 6.7625 8.3084 7.5366 5.6819 numMergedOcc 0
55 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 10.968 8.50331 7.22918 numMergedOcc 0
56 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 10.968 8.50331 9.05842 numMergedOcc 0
57 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 10.968 8.50331 7.00028 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 5.99187 5.74685 6.22714 8.22473 5.64181 10.216 numMergedOcc 0
59 mol 238 unq 1 iso 0 dist 5.99187 5.87189 7.31233 8.22473 5.64181 7.83352 numMergedOcc 0
60 mol 253 unq 0 iso 0 dist 9.86979 7.79167 9.02271 15.3582 7.77998 13.6942 numMergedOcc 0
61 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 11.0804 7.99477 7.42673 numMergedOcc 0
62 mol 258 unq 1 iso 0 dist 5.31858 6.60345 6.42289 6.65689 7.86627 6.44209 numMergedOcc 0
