REMARK Name = BDB063650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.767 0.119 -1.220 0.00 0.00 +0.124 C ATOM 2 C LIG 1 1.916 0.226 -0.171 0.00 0.00 +0.044 C ATOM 3 C LIG 1 1.542 -0.878 0.780 0.00 0.00 +0.082 C ATOM 4 C LIG 1 1.641 -0.469 2.266 0.00 0.00 +0.132 C ATOM 5 C LIG 1 1.020 0.954 2.579 0.00 0.00 +0.211 C ATOM 6 C LIG 1 0.426 1.699 1.367 0.00 0.00 +0.097 C ATOM 7 C LIG 1 -0.999 1.065 1.241 0.00 0.00 +0.081 C ATOM 8 C LIG 1 -1.063 0.069 2.419 0.00 0.00 +0.132 C ATOM 9 C LIG 1 -2.456 -0.005 3.043 0.00 0.00 +0.048 C ATOM 10 C LIG 1 -0.443 -1.353 2.088 0.00 0.00 +0.211 C ATOM 11 C LIG 1 -1.402 0.455 -0.072 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -0.772 -0.868 -0.387 0.00 0.00 +0.174 C ATOM 13 O LIG 1 -0.934 -1.368 -1.501 0.00 0.00 -0.291 OA ATOM 14 C LIG 1 -2.287 0.996 -0.942 0.00 0.00 +0.101 C ATOM 15 C LIG 1 0.273 3.211 1.672 0.00 0.00 +0.026 C ATOM 16 O LIG 1 -0.176 0.729 3.367 0.00 0.00 -0.333 OA ATOM 17 O LIG 1 0.772 -1.472 2.870 0.00 0.00 -0.333 OA ATOM 18 C LIG 1 3.049 -0.657 2.828 0.00 0.00 +0.048 C ATOM 19 C LIG 1 0.119 -1.516 0.661 0.00 0.00 +0.097 C ATOM 20 C LIG 1 0.274 -3.014 0.296 0.00 0.00 +0.026 C ATOM 21 C LIG 1 1.290 1.556 0.123 0.00 0.00 +0.175 C ATOM 22 O LIG 1 1.430 2.484 -0.676 0.00 0.00 -0.291 OA ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 4.422 -1.191 -2.526 0.00 0.00 +0.003 C ATOM 24 C LIG 1 3.413 -1.117 -1.642 0.00 0.00 +0.046 C BRANCH 23 27 ATOM 25 C LIG 1 6.684 -3.783 -4.241 0.00 0.00 +0.035 C ATOM 26 C LIG 1 6.045 -2.506 -3.803 0.00 0.00 -0.030 C ATOM 27 C LIG 1 5.028 -2.441 -2.930 0.00 0.00 -0.004 C ENDBRANCH 23 27 ENDBRANCH 1 24 BRANCH 10 28 ATOM 28 O LIG 1 -1.287 -2.417 2.459 0.00 0.00 -0.362 OA ATOM 29 H LIG 1 -1.231 -2.457 3.431 0.00 0.00 +0.213 HD ENDBRANCH 10 28 BRANCH 14 30 ATOM 30 O LIG 1 -2.629 0.391 -2.141 0.00 0.00 -0.511 OA ATOM 31 H LIG 1 -2.084 -0.419 -2.269 0.00 0.00 +0.292 HD ENDBRANCH 14 30 BRANCH 5 32 ATOM 32 O LIG 1 1.879 1.768 3.343 0.00 0.00 -0.362 OA ATOM 33 H LIG 1 1.848 1.394 4.242 0.00 0.00 +0.213 HD ENDBRANCH 5 32 BRANCH 1 34 ATOM 34 O LIG 1 3.092 1.186 -2.039 0.00 0.00 -0.506 OA ATOM 35 H LIG 1 2.553 1.966 -1.784 0.00 0.00 +0.292 HD ENDBRANCH 1 34 BRANCH 14 36 ATOM 36 C LIG 1 -2.982 2.332 -0.767 0.00 0.00 +0.078 C BRANCH 36 37 ATOM 37 C LIG 1 -4.298 2.249 0.020 0.00 0.00 +0.034 C BRANCH 37 38 ATOM 38 C LIG 1 -5.418 1.603 -0.748 0.00 0.00 -0.031 C ATOM 39 C LIG 1 -6.593 2.199 -1.005 0.00 0.00 -0.034 C ATOM 40 C LIG 1 -7.702 1.556 -1.773 0.00 0.00 +0.035 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 14 36 TORSDOF 9