REMARK Name = BDB019876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.136 1.201 0.360 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.280 -0.064 0.782 0.00 0.00 +0.143 A ATOM 3 F LIG 1 0.619 -1.043 0.981 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.636 -0.350 1.009 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -2.579 0.672 0.815 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -2.193 1.950 0.380 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.829 2.203 0.165 0.00 0.00 +0.021 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -2.066 -1.686 1.447 0.00 0.00 -0.003 A ATOM 9 C LIG 1 -2.652 -2.624 0.563 0.00 0.00 +0.065 A ATOM 10 C LIG 1 -3.055 -3.879 1.062 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -2.868 -4.199 2.401 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.255 -5.398 2.852 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.286 -3.294 3.274 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.888 -2.044 2.800 0.00 0.00 +0.012 A BRANCH 9 15 ATOM 15 C LIG 1 -2.874 -2.314 -0.900 0.00 0.00 +0.418 C ATOM 16 F LIG 1 -3.889 -1.430 -1.099 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -3.203 -3.416 -1.636 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -1.779 -1.786 -1.515 0.00 0.00 -0.166 F ENDBRANCH 9 15 ENDBRANCH 4 8 BRANCH 1 21 ATOM 19 N LIG 1 2.489 0.547 0.218 0.00 0.00 -0.303 N ATOM 20 H LIG 1 2.216 -0.409 0.426 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.564 1.550 0.111 0.00 0.00 +0.247 C ATOM 22 O LIG 1 1.861 2.704 -0.184 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 3.912 0.744 0.009 0.00 0.00 +0.125 C BRANCH 23 27 ATOM 24 C LIG 1 7.385 -1.494 -2.892 0.00 0.00 +0.044 C ATOM 25 C LIG 1 6.214 -1.572 -1.959 0.00 0.00 -0.047 A ATOM 26 C LIG 1 5.643 -0.409 -1.434 0.00 0.00 +0.028 A ATOM 27 C LIG 1 4.532 -0.513 -0.597 0.00 0.00 +0.062 A ATOM 28 N LIG 1 3.978 -1.714 -0.265 0.00 0.00 -0.258 NA ATOM 29 C LIG 1 4.537 -2.820 -0.798 0.00 0.00 +0.111 A ATOM 30 C LIG 1 5.636 -2.801 -1.642 0.00 0.00 +0.023 A ENDBRANCH 23 27 BRANCH 23 31 ATOM 31 C LIG 1 4.560 1.022 1.345 0.00 0.00 +0.015 C ATOM 32 C LIG 1 5.811 1.865 1.443 0.00 0.00 +0.006 C ATOM 33 C LIG 1 4.506 2.402 1.958 0.00 0.00 +0.006 C ENDBRANCH 23 31 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 6 34 ATOM 34 C LIG 1 -3.215 3.050 0.168 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 N LIG 1 -4.278 2.631 -0.721 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -5.543 2.174 -0.329 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -6.058 2.079 0.845 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 -5.401 2.421 1.543 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 -6.160 1.803 -1.526 0.00 0.00 -0.320 N ATOM 40 C LIG 1 -7.429 1.122 -1.580 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -5.282 1.973 -2.585 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -4.143 2.485 -2.100 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8