REMARK Name = BDB056574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.053 0.700 0.723 0.00 0.00 +0.125 A ATOM 2 N LIG 1 -0.685 -0.431 1.359 0.00 0.00 -0.239 NA ATOM 3 C LIG 1 -1.608 -1.370 1.675 0.00 0.00 +0.123 A ATOM 4 C LIG 1 -2.955 -1.187 1.351 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -4.122 -1.957 1.552 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -5.203 -1.223 1.105 0.00 0.00 +0.064 A ATOM 7 N LIG 1 -4.718 -0.095 0.438 0.00 0.00 -0.245 N ATOM 8 C LIG 1 -5.403 0.781 -0.433 0.00 0.00 +0.421 C ATOM 9 O LIG 1 -4.966 1.891 -0.696 0.00 0.00 -0.223 OA ATOM 10 C LIG 1 -3.342 -0.011 0.709 0.00 0.00 +0.065 A ATOM 11 C LIG 1 -2.382 0.961 0.383 0.00 0.00 +0.070 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -6.682 -1.636 1.410 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -7.064 -2.845 1.949 0.00 0.00 +0.118 A ATOM 14 N LIG 1 -8.423 -2.797 2.068 0.00 0.00 -0.274 N ATOM 15 C LIG 1 -9.289 -3.835 2.571 0.00 0.00 +0.172 C ATOM 16 N LIG 1 -8.951 -1.623 1.681 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -7.886 -0.916 1.289 0.00 0.00 +0.144 A ENDBRANCH 6 12 BRANCH 1 18 ATOM 18 N LIG 1 -0.092 1.679 0.371 0.00 0.00 -0.298 N ATOM 19 H LIG 1 -0.226 1.948 -0.601 0.00 0.00 +0.154 HD BRANCH 18 24 ATOM 20 C LIG 1 4.023 1.796 1.353 0.00 0.00 +0.038 A ATOM 21 C LIG 1 3.593 2.264 0.109 0.00 0.00 +0.035 A ATOM 22 C LIG 1 2.234 2.213 -0.205 0.00 0.00 +0.063 A ATOM 23 CL LIG 1 1.734 2.791 -1.760 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 1.287 1.691 0.702 0.00 0.00 +0.051 A ATOM 25 C LIG 1 1.744 1.271 1.961 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.102 1.325 2.290 0.00 0.00 +0.015 A BRANCH 20 31 ATOM 27 C LIG 1 8.498 -0.164 -0.615 0.00 0.00 +0.059 C ATOM 28 C LIG 1 7.016 -0.200 -1.046 0.00 0.00 +0.038 C ATOM 29 C LIG 1 6.074 0.044 0.128 0.00 0.00 +0.109 C ATOM 30 N LIG 1 6.393 1.268 0.858 0.00 0.00 -0.297 N ATOM 31 C LIG 1 5.455 1.862 1.716 0.00 0.00 +0.247 C ATOM 32 O LIG 1 5.752 2.462 2.746 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 7.788 1.405 1.251 0.00 0.00 +0.109 C ATOM 34 C LIG 1 8.747 1.188 0.087 0.00 0.00 +0.038 C BRANCH 27 36 ATOM 35 C LIG 1 10.818 -0.200 -1.437 0.00 0.00 +0.104 C ATOM 36 N LIG 1 9.402 -0.386 -1.778 0.00 0.00 -0.305 NA ATOM 37 C LIG 1 9.235 -1.726 -2.356 0.00 0.00 +0.104 C ENDBRANCH 27 36 ENDBRANCH 20 31 ENDBRANCH 18 24 ENDBRANCH 1 18 BRANCH 8 38 ATOM 38 O LIG 1 -6.475 0.164 -0.982 0.00 0.00 -0.442 OA BRANCH 38 39 ATOM 39 C LIG 1 -7.222 0.800 -2.053 0.00 0.00 +0.107 C ATOM 40 C LIG 1 -6.332 1.045 -3.278 0.00 0.00 +0.055 C ATOM 41 C LIG 1 -8.308 -0.217 -2.438 0.00 0.00 +0.055 C ATOM 42 C LIG 1 -7.899 2.090 -1.576 0.00 0.00 +0.055 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 7