REMARK Name = BDB039990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.906 0.750 0.843 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.216 1.576 0.737 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.318 2.786 0.648 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.394 0.700 0.735 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.728 1.053 0.649 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.680 0.026 0.650 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.251 -1.321 0.746 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.887 -1.664 0.839 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.967 -0.620 0.828 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.526 -0.658 0.899 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.678 0.561 0.979 0.00 0.00 -0.039 A ATOM 12 C LIG 1 3.301 0.222 0.970 0.00 0.00 +0.027 A ATOM 13 C LIG 1 2.264 1.169 0.889 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.627 2.515 0.843 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.969 2.896 0.860 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.975 1.932 0.918 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.827 -0.585 0.994 0.00 0.00 +0.013 C ATOM 18 C LIG 1 5.626 -1.786 1.986 0.00 0.00 +0.087 C ATOM 19 C LIG 1 6.498 -1.035 3.008 0.00 0.00 +0.251 C ATOM 20 F LIG 1 7.354 -1.798 3.723 0.00 0.00 -0.206 F ATOM 21 F LIG 1 5.829 -0.266 3.897 0.00 0.00 -0.206 F ATOM 22 C LIG 1 7.124 -0.277 1.821 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 6.158 -1.009 -0.455 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 4.605 0.177 -2.892 0.00 0.00 +0.151 C ATOM 25 N LIG 1 4.312 -1.054 -2.210 0.00 0.00 -0.320 N ATOM 26 C LIG 1 4.982 -1.609 -1.150 0.00 0.00 +0.134 A ATOM 27 N LIG 1 4.376 -2.731 -0.815 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 3.297 -2.902 -1.647 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 3.275 -1.891 -2.483 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -1.445 -3.101 0.910 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.478 -3.300 1.848 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.920 -3.533 -0.268 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.448 -3.967 1.219 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.160 0.351 0.561 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -5.819 -0.318 -0.573 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -7.283 -0.116 -0.513 0.00 0.00 +0.091 C ATOM 37 C LIG 1 -7.518 1.164 -1.276 0.00 0.00 -0.015 C ATOM 38 C LIG 1 -8.351 2.275 -0.673 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -8.890 1.483 -1.828 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -6.284 1.500 -2.061 0.00 0.00 +0.023 C ATOM 41 C LIG 1 -5.422 0.256 -1.875 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 7