REMARK Name = BDB020158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.465 -1.093 -0.504 0.00 0.00 +0.072 A ATOM 2 N LIG 1 -0.162 -1.351 -0.760 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 0.393 -0.723 -1.834 0.00 0.00 +0.126 A ATOM 4 C LIG 1 -0.293 0.145 -2.672 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.642 0.391 -2.409 0.00 0.00 -0.023 A ATOM 6 C LIG 1 -2.231 -0.253 -1.312 0.00 0.00 +0.033 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -2.642 0.428 1.835 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -2.588 -1.077 1.775 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -2.024 -1.773 0.676 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -1.989 -3.184 0.720 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.521 -3.891 1.799 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -3.094 -3.194 2.850 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -3.613 -3.867 3.885 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -3.134 -1.805 2.848 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 1.847 -0.999 -2.070 0.00 0.00 +0.263 C ATOM 16 N LIG 1 2.402 -1.881 -1.166 0.00 0.00 -0.304 N ATOM 17 H LIG 1 1.798 -2.125 -0.385 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 2.462 -0.461 -2.983 0.00 0.00 -0.269 OA BRANCH 16 19 ATOM 19 C LIG 1 3.833 -2.066 -1.046 0.00 0.00 +0.100 C ATOM 20 C LIG 1 4.151 -3.497 -0.612 0.00 0.00 +0.033 C BRANCH 19 21 ATOM 21 C LIG 1 4.408 -1.022 -0.100 0.00 0.00 -0.027 A ATOM 22 C LIG 1 4.178 -1.067 1.287 0.00 0.00 +0.020 A ATOM 23 C LIG 1 4.696 -0.078 2.141 0.00 0.00 +0.090 A ATOM 24 C LIG 1 5.439 0.960 1.589 0.00 0.00 +0.135 A ATOM 25 F LIG 1 5.942 1.918 2.379 0.00 0.00 -0.205 F ATOM 26 C LIG 1 5.668 1.034 0.220 0.00 0.00 +0.039 A ATOM 27 C LIG 1 5.150 0.050 -0.622 0.00 0.00 +0.008 A BRANCH 23 28 ATOM 28 C LIG 1 4.465 -0.103 3.621 0.00 0.00 +0.420 C ATOM 29 F LIG 1 3.776 0.981 4.071 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.743 -1.188 4.029 0.00 0.00 -0.166 F ATOM 31 F LIG 1 5.621 -0.147 4.341 0.00 0.00 -0.166 F ENDBRANCH 23 28 ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 32 ATOM 32 C LIG 1 -2.437 1.350 -3.265 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 -2.807 2.531 -2.512 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -4.023 2.724 -1.841 0.00 0.00 +0.204 A ATOM 35 N LIG 1 -5.080 1.996 -1.823 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 -4.961 1.188 -2.430 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 -3.843 3.923 -1.147 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -4.823 4.464 -0.239 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -2.564 4.410 -1.359 0.00 0.00 +0.106 A ATOM 40 C LIG 1 -1.934 3.568 -2.190 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 7