REMARK Name = BDB035991 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.710 -1.194 -0.070 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.305 -1.150 1.287 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.953 -1.008 1.655 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.020 -0.910 0.627 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.464 -0.748 0.696 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.869 -0.711 -0.705 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.235 -0.830 -1.556 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.318 -0.836 -2.770 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.422 -0.957 -0.702 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.745 -1.099 -1.081 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.229 -0.570 -1.097 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.244 -0.444 -0.132 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.607 -0.293 -0.478 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.944 -0.278 -1.836 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.953 -0.408 -2.807 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.612 -0.550 -2.440 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.619 -0.133 0.658 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.426 1.146 1.431 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.346 2.424 0.933 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.411 2.871 -0.432 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.157 3.238 2.009 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.119 2.521 3.105 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.284 1.208 2.744 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -7.087 -0.298 0.221 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -8.143 -0.443 1.360 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -8.039 -1.969 1.201 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -7.529 -1.725 -0.230 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.530 -0.945 3.098 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.002 0.265 3.425 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.542 -1.169 3.980 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.567 -1.862 3.391 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.176 -1.353 -0.423 0.00 0.00 +0.119 C BRANCH 32 40 ATOM 33 C LIG 1 9.811 -0.028 0.613 0.00 0.00 +0.015 C ATOM 34 C LIG 1 8.338 0.365 0.730 0.00 0.00 +0.069 C ATOM 35 C LIG 1 8.080 1.729 0.110 0.00 0.00 +0.254 C ATOM 36 F LIG 1 8.518 1.742 -1.178 0.00 0.00 -0.205 F ATOM 37 F LIG 1 8.794 2.679 0.765 0.00 0.00 -0.205 F ATOM 38 C LIG 1 6.614 2.103 0.132 0.00 0.00 +0.091 C ATOM 39 C LIG 1 5.784 1.001 -0.513 0.00 0.00 +0.090 C ATOM 40 N LIG 1 6.023 -0.291 0.154 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 7.442 -0.675 0.052 0.00 0.00 +0.093 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7