REMARK Name = BDB009378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.751 -1.376 0.069 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.682 -2.757 0.216 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.196 -3.482 -0.491 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.518 -3.405 1.118 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.443 -2.667 1.862 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.549 -1.275 1.698 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.683 -0.631 0.800 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 5.549 0.417 0.240 0.00 0.00 +0.221 C ATOM 9 N LIG 1 4.229 0.147 -0.118 0.00 0.00 -0.298 N ATOM 10 C LIG 1 3.348 -0.311 0.968 0.00 0.00 +0.127 C ATOM 11 C LIG 1 2.166 -1.159 0.483 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.460 -0.540 -0.642 0.00 0.00 -0.294 N ATOM 13 C LIG 1 0.103 -0.689 -0.910 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -0.450 -0.244 -1.913 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 2.324 -0.088 -1.730 0.00 0.00 +0.127 C ATOM 16 C LIG 1 3.505 0.759 -1.239 0.00 0.00 +0.127 C ATOM 17 O LIG 1 5.925 0.168 1.393 0.00 0.00 -0.275 OA BRANCH 8 19 ATOM 18 C LIG 1 6.751 0.051 -1.981 0.00 0.00 +0.020 C ATOM 19 C LIG 1 6.574 0.990 -0.779 0.00 0.00 +0.039 C ATOM 20 C LIG 1 7.954 1.063 -0.071 0.00 0.00 +0.020 C ATOM 21 C LIG 1 6.232 2.426 -1.206 0.00 0.00 +0.020 C ENDBRANCH 8 19 ENDBRANCH 1 13 BRANCH 6 22 ATOM 22 C LIG 1 -3.552 -0.498 2.524 0.00 0.00 +0.094 C BRANCH 22 23 ATOM 23 C LIG 1 -4.255 0.623 1.769 0.00 0.00 +0.087 A ATOM 24 C LIG 1 -5.335 0.272 0.782 0.00 0.00 +0.059 A ATOM 25 N LIG 1 -5.658 -1.051 0.491 0.00 0.00 -0.342 N ATOM 26 H LIG 1 -4.873 -1.691 0.591 0.00 0.00 +0.146 HD ATOM 27 C LIG 1 -6.492 -1.356 -0.669 0.00 0.00 +0.102 C ATOM 28 C LIG 1 -7.627 -0.340 -0.759 0.00 0.00 +0.023 C ATOM 29 C LIG 1 -7.083 1.095 -0.783 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -5.967 1.305 0.203 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -5.563 2.696 0.504 0.00 0.00 +0.270 A ATOM 32 O LIG 1 -6.121 3.657 -0.015 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -4.524 2.843 1.385 0.00 0.00 -0.243 N ATOM 34 H LIG 1 -4.235 3.791 1.604 0.00 0.00 +0.192 HD ATOM 35 N LIG 1 -3.876 1.839 2.035 0.00 0.00 -0.174 NA ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 4