0 mol 0 unq 0 iso 0 dist 7.96742 5.55156 11.962 7.16694 14.4281 6.94181 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.24206 9.5614 13.3337 9.40697 12.4868 6.94181 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 6.19218 9.5614 6.83587 9.40697 10.9707 6.94181 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.19397 5.55156 6.83587 7.16694 10.9707 6.94181 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 8.0166 6.22805 5.70161 5.85668 6.0323 7.15434 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 9.32945 6.22805 4.57188 5.85668 10.2084 7.15434 numMergedOcc 0
6 mol 7 unq 2 iso 0 dist 9.90117 6.22805 6.09254 5.85668 12.9667 7.15434 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 9.31149 9.04834 9.14256 9.19152 14.0866 6.28033 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 7.83595 8.37503 6.40527 6.78528 9.72314 6.83481 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 8.28673 4.68793 10.9806 11.44 19.1373 8.52313 numMergedOcc 0
10 mol 51 unq 0 iso 0 dist 7.95419 9.06397 5.27155 8.26107 12.263 9.23497 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 7.19203 7.14865 9.51008 10.0636 15.9868 9.20523 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 8.36667 8.24121 14.9981 16.9712 22.9494 9.37094 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 6.13631 7.84699 6.10011 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 6.13631 7.84699 8.124 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 6.13631 8.40844 6.10011 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 6.13631 8.40844 8.124 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 8.60363 4.24428 10.4402 6.13631 6.99156 6.10011 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 8.60363 6.30194 8.0624 6.13631 6.99156 8.124 numMergedOcc 0
19 mol 75 unq 0 iso 0 dist 7.89636 7.118 6.33557 10.7293 10.7134 8.2147 numMergedOcc 0
20 mol 75 unq 1 iso 0 dist 9.49608 7.118 9.95193 10.7293 15.7928 8.2147 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 9.16553 15.2864 8.96916 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 9.6874 5.97879 8.15877 9.53071 17.1733 9.62866 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.67341 8.35604 5.39296 9.50302 10.999 6.55511 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 9.92335 9.41832 8.78908 12.2179 15.6916 9.68229 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 7.60912 8.55431 8.50143 16.0092 16.4382 9.21254 numMergedOcc 0
26 mol 162 unq 0 iso 0 dist 8.954 9.42819 8.35998 13.5359 15.9574 8.46796 numMergedOcc 0
27 mol 212 unq 0 iso 0 dist 9.26387 7.87125 9.7586 4.78007 6.41916 9.47932 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 11.9931 8.58709 6.21273 numMergedOcc 0
29 mol 230 unq 0 iso 0 dist 6.88683 8.33847 6.87235 11.8106 12.0105 5.62804 numMergedOcc 0
30 mol 230 unq 1 iso 0 dist 7.43793 9.12305 6.87235 11.2815 12.0105 5.62804 numMergedOcc 0
31 mol 230 unq 2 iso 0 dist 7.43793 9.30906 5.4427 11.2815 12.0105 9.3619 numMergedOcc 0
32 mol 230 unq 3 iso 0 dist 8.4739 9.12305 9.94041 11.2815 13.9136 5.62804 numMergedOcc 0
33 mol 230 unq 4 iso 0 dist 8.4739 9.30906 5.52842 11.2815 13.9136 9.3619 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 5.92175 7.47238 4.90814 16.9546 14.5058 9.95045 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 9.44182 12.5656 6.83046 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 6.08181 9.67877 5.09738 16.1624 11.1104 8.40766 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 6.08181 8.81059 13.8694 5.79358 10.9114 8.21585 numMergedOcc 0
38 mol 258 unq 2 iso 0 dist 7.70189 9.67877 10.4667 16.1624 18.7534 8.40766 numMergedOcc 0
39 mol 258 unq 3 iso 0 dist 7.70189 8.81059 9.22664 5.79358 6.59521 8.21585 numMergedOcc 0
40 mol 261 unq 0 iso 0 dist 6.41477 7.15785 4.50761 5.72823 9.56414 9.95681 numMergedOcc 0
41 mol 261 unq 1 iso 0 dist 6.41477 9.43169 8.80293 5.72823 9.56414 9.05762 numMergedOcc 0
42 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 5.46523 13.9472 5.3051 numMergedOcc 0
43 mol 265 unq 1 iso 0 dist 6.5072 7.54805 12.4903 5.46523 11.5573 5.3051 numMergedOcc 0
44 mol 265 unq 2 iso 0 dist 4.03921 7.54805 5.11366 5.46523 5.10595 5.3051 numMergedOcc 0
45 mol 272 unq 0 iso 0 dist 7.50321 6.62923 7.55961 11.1133 13.3976 7.31993 numMergedOcc 0
46 mol 272 unq 1 iso 0 dist 9.61597 6.62923 5.43733 11.1133 11.3096 7.31993 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 6.33183 12.136 8.78883 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 7.21004 6.21831 4.97216 6.33183 5.68643 8.78883 numMergedOcc 0
49 mol 274 unq 2 iso 0 dist 6.12202 9.81087 7.96313 9.24343 5.59151 5.82876 numMergedOcc 0
50 mol 274 unq 3 iso 0 dist 6.44266 8.3291 6.57235 9.34663 12.136 8.78883 numMergedOcc 0
51 mol 274 unq 4 iso 0 dist 8.75703 8.3291 4.97216 9.34663 5.68643 8.78883 numMergedOcc 0
52 mol 276 unq 0 iso 0 dist 8.14494 8.28881 12.431 11.4303 18.4475 9.64575 numMergedOcc 0
53 mol 279 unq 0 iso 0 dist 7.319 9.6147 13.2117 5.44699 10.0305 8.68797 numMergedOcc 0
54 mol 279 unq 1 iso 0 dist 5.78017 6.47376 5.34376 4.77763 8.36655 8.68797 numMergedOcc 0
55 mol 279 unq 2 iso 0 dist 6.12742 9.6147 5.34376 5.44699 8.36655 8.68797 numMergedOcc 0
56 mol 279 unq 3 iso 0 dist 9.45886 9.6147 10.0132 5.44699 13.376 8.68797 numMergedOcc 0
57 mol 279 unq 4 iso 0 dist 8.78203 6.47376 5.86731 4.77763 10.6842 8.68797 numMergedOcc 0
58 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 10.5216 9.9227 8.80588 numMergedOcc 0
