REMARK Name = BDB035808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.070 -1.678 -0.296 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.123 -2.251 0.999 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.044 -2.158 1.899 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.912 -1.474 1.465 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.371 -1.200 2.179 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.154 -0.448 1.207 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.438 -0.260 0.020 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.732 0.314 -1.012 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.864 -0.914 0.194 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.915 -0.997 -0.702 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.463 0.028 1.492 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.215 0.745 0.549 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.509 1.224 0.837 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.050 0.985 2.107 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.325 0.269 3.053 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.047 -0.206 2.747 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.313 2.025 -0.191 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -5.401 1.351 -1.531 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.915 0.094 -1.753 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.453 -0.832 -0.793 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.827 -0.126 -3.093 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.313 0.928 -3.676 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.045 1.853 -2.698 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -4.788 3.461 -0.173 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.402 4.527 -1.097 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -4.089 5.125 -1.291 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -3.472 3.877 -0.857 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.106 -2.759 3.276 0.00 0.00 +0.418 C ATOM 29 F LIG 1 3.260 -3.427 3.540 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.098 -3.650 3.490 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.977 -1.820 4.253 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 4.259 -1.794 -1.223 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.397 -1.050 -0.687 0.00 0.00 -0.312 NA ATOM 34 H LIG 1 5.136 -0.068 -0.598 0.00 0.00 +0.122 HD BRANCH 33 35 ATOM 35 C LIG 1 6.564 -1.165 -1.561 0.00 0.00 +0.084 C BRANCH 35 37 ATOM 36 C LIG 1 8.925 -0.417 -1.993 0.00 0.00 +0.008 C ATOM 37 C LIG 1 7.758 -0.365 -1.005 0.00 0.00 -0.003 C ATOM 38 C LIG 1 8.213 -0.885 0.362 0.00 0.00 +0.008 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 9