REMARK Name = BDB030984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.350 0.415 1.103 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -3.618 0.221 -0.295 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.473 -0.116 -1.076 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -1.178 -0.257 -0.581 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -0.321 -0.611 -1.672 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -1.100 -0.641 -2.808 0.00 0.00 +0.093 A ATOM 7 C LIG 1 -0.963 -0.054 0.786 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.383 -0.359 -2.434 0.00 0.00 -0.360 N ATOM 9 H LIG 1 -3.193 -0.309 -3.041 0.00 0.00 +0.165 HD ATOM 10 C LIG 1 -2.046 0.278 1.603 0.00 0.00 +0.024 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 1.112 -0.849 -1.667 0.00 0.00 +0.090 A ATOM 12 C LIG 1 1.676 -2.042 -2.055 0.00 0.00 +0.099 A ATOM 13 C LIG 1 3.048 -2.069 -1.981 0.00 0.00 +0.129 A ATOM 14 N LIG 1 3.801 -1.036 -1.556 0.00 0.00 -0.222 NA ATOM 15 C LIG 1 3.164 0.076 -1.188 0.00 0.00 +0.216 A ATOM 16 N LIG 1 1.838 0.205 -1.226 0.00 0.00 -0.214 NA BRANCH 12 17 ATOM 17 C LIG 1 0.910 -3.224 -2.518 0.00 0.00 +0.421 C ATOM 18 F LIG 1 0.388 -3.068 -3.766 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -0.127 -3.567 -1.707 0.00 0.00 -0.166 F ATOM 20 F LIG 1 1.681 -4.350 -2.598 0.00 0.00 -0.166 F ENDBRANCH 12 17 BRANCH 15 21 ATOM 21 N LIG 1 3.850 1.186 -0.739 0.00 0.00 -0.309 N ATOM 22 H LIG 1 3.139 1.787 -0.332 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 5.044 1.029 0.089 0.00 0.00 +0.087 C ATOM 24 C LIG 1 6.309 0.607 -0.701 0.00 0.00 +0.103 C ATOM 25 N LIG 1 7.425 0.122 0.134 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 8.309 0.381 -0.299 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 7.351 0.612 1.503 0.00 0.00 +0.081 C ATOM 28 C LIG 1 6.085 0.109 2.203 0.00 0.00 +0.017 C ATOM 29 C LIG 1 4.832 0.139 1.316 0.00 0.00 +0.025 C ENDBRANCH 21 23 ENDBRANCH 15 21 ENDBRANCH 5 11 BRANCH 1 32 ATOM 30 C LIG 1 -5.723 1.312 3.911 0.00 0.00 +0.109 C ATOM 31 C LIG 1 -4.362 0.963 3.360 0.00 0.00 +0.214 C ATOM 32 N LIG 1 -4.406 0.755 1.990 0.00 0.00 -0.285 N ATOM 33 H LIG 1 -5.322 0.853 1.587 0.00 0.00 +0.155 HD ATOM 34 O LIG 1 -3.394 0.880 4.105 0.00 0.00 -0.276 OA ENDBRANCH 1 32 BRANCH 2 35 ATOM 35 C LIG 1 -5.005 0.351 -0.950 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -5.996 -0.700 -0.428 0.00 0.00 +0.046 C ATOM 37 C LIG 1 -5.556 1.782 -0.863 0.00 0.00 +0.046 C BRANCH 35 38 ATOM 38 O LIG 1 -4.911 0.086 -2.373 0.00 0.00 -0.384 OA ATOM 39 H LIG 1 -5.806 0.175 -2.747 0.00 0.00 +0.211 HD ENDBRANCH 35 38 ENDBRANCH 2 35 TORSDOF 7