REMARK Name = BDB020491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.633 -1.160 1.323 0.00 0.00 +0.046 A ATOM 2 C LIG 1 1.843 -0.629 0.786 0.00 0.00 +0.013 A ATOM 3 C LIG 1 3.079 -1.072 1.298 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.258 -0.630 0.839 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 4.289 0.287 -0.165 0.00 0.00 +0.086 A ATOM 6 C LIG 1 3.141 0.811 -0.734 0.00 0.00 +0.081 A ATOM 7 C LIG 1 3.093 -2.012 2.319 0.00 0.00 +0.031 A ATOM 8 C LIG 1 1.916 -2.530 2.855 0.00 0.00 +0.041 A ATOM 9 C LIG 1 1.914 0.331 -0.249 0.00 0.00 +0.025 A ATOM 10 C LIG 1 0.697 -2.100 2.356 0.00 0.00 +0.133 A ATOM 11 F LIG 1 -0.422 -2.612 2.893 0.00 0.00 -0.205 F ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -3.702 -1.105 -2.222 0.00 0.00 +0.041 C ATOM 13 C LIG 1 -3.867 -1.067 -0.703 0.00 0.00 +0.171 C ATOM 14 N LIG 1 -2.652 -0.612 -0.045 0.00 0.00 -0.318 N ATOM 15 C LIG 1 -1.657 -1.498 0.295 0.00 0.00 +0.064 A ATOM 16 C LIG 1 -0.661 -0.720 0.839 0.00 0.00 +0.097 A ATOM 17 N LIG 1 -1.046 0.597 0.853 0.00 0.00 -0.232 NA ATOM 18 C LIG 1 -1.825 -2.941 0.030 0.00 0.00 +0.163 C ATOM 19 N LIG 1 -3.227 -3.291 0.229 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -3.521 -4.673 0.561 0.00 0.00 +0.132 C ATOM 21 C LIG 1 -2.277 0.643 0.372 0.00 0.00 +0.115 A ATOM 22 C LIG 1 -4.256 -2.464 -0.214 0.00 0.00 +0.238 C ATOM 23 O LIG 1 -5.431 -2.831 -0.266 0.00 0.00 -0.273 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.101 1.901 0.353 0.00 0.00 +0.060 C ATOM 25 C LIG 1 -4.275 1.854 1.342 0.00 0.00 +0.039 C ATOM 26 C LIG 1 -5.429 2.739 0.883 0.00 0.00 +0.160 C ATOM 27 O LIG 1 -4.925 3.926 0.282 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -4.256 3.695 -0.959 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -3.556 2.338 -1.035 0.00 0.00 +0.039 C ENDBRANCH 21 24 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 5.631 0.658 -0.567 0.00 0.00 +0.038 A ATOM 31 C LIG 1 6.618 1.050 0.315 0.00 0.00 +0.118 A ATOM 32 N LIG 1 7.731 1.284 -0.437 0.00 0.00 -0.274 N ATOM 33 C LIG 1 9.022 1.722 0.035 0.00 0.00 +0.172 C ATOM 34 N LIG 1 7.547 1.058 -1.750 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 6.274 0.660 -1.824 0.00 0.00 +0.144 A ENDBRANCH 5 30 BRANCH 6 36 ATOM 36 C LIG 1 3.176 1.852 -1.809 0.00 0.00 +0.419 C ATOM 37 F LIG 1 3.962 2.921 -1.510 0.00 0.00 -0.166 F ATOM 38 F LIG 1 1.947 2.377 -2.089 0.00 0.00 -0.166 F ATOM 39 F LIG 1 3.628 1.361 -2.997 0.00 0.00 -0.166 F ENDBRANCH 6 36 TORSDOF 4