REMARK Name = BDB019606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.277 0.878 0.349 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.690 1.518 -0.829 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.790 1.042 -1.562 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.464 -0.094 -1.082 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.068 -0.744 0.100 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.977 -0.240 0.817 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.229 1.715 -2.793 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.414 1.011 -3.992 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -2.827 1.683 -5.142 0.00 0.00 +0.096 A ATOM 10 CL LIG 1 -3.047 0.816 -6.609 0.00 0.00 -0.079 Cl ATOM 11 C LIG 1 -3.046 3.051 -5.063 0.00 0.00 +0.232 A ATOM 12 F LIG 1 -3.439 3.724 -6.156 0.00 0.00 -0.182 F ATOM 13 N LIG 1 -2.882 3.773 -3.931 0.00 0.00 -0.226 NA ATOM 14 C LIG 1 -2.485 3.089 -2.832 0.00 0.00 +0.122 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.888 1.987 0.439 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.919 1.869 -0.564 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 0.878 1.372 1.147 0.00 0.00 +0.244 C ATOM 18 O LIG 1 0.903 1.192 2.359 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.127 2.369 1.081 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 6.092 0.443 -0.347 0.00 0.00 +0.124 A ATOM 21 C LIG 1 6.080 -0.691 0.469 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.133 -0.842 1.484 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.186 0.161 1.684 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.182 1.310 0.875 0.00 0.00 -0.023 A ATOM 25 C LIG 1 5.138 1.440 -0.145 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 7.174 1.609 -2.118 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.074 0.451 -1.300 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 5.237 -2.002 2.200 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 4.288 -2.202 3.241 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -2.839 -1.939 0.606 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 N LIG 1 -4.068 -1.482 1.224 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -3.916 -0.738 1.895 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -4.976 -2.385 1.651 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -5.967 -1.851 2.412 0.00 0.00 -0.316 N ATOM 35 H LIG 1 -6.300 -0.957 2.071 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 -6.988 -2.870 2.545 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -6.222 -4.129 2.127 0.00 0.00 +0.163 C ATOM 38 N LIG 1 -5.014 -3.657 1.394 0.00 0.00 -0.255 NA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 9