REMARK Name = BDB030872 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.299 -0.834 -2.042 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -1.049 -1.940 -2.369 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -2.387 -1.825 -2.073 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.942 -0.740 -1.502 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.132 0.283 -1.217 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -0.821 0.269 -1.458 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.637 -0.241 -0.028 0.00 0.00 +0.135 A ATOM 8 C LIG 1 4.633 -0.391 -1.418 0.00 0.00 +0.072 A ATOM 9 C LIG 1 3.385 -0.541 -2.035 0.00 0.00 +0.051 A ATOM 10 C LIG 1 2.185 -0.570 -1.321 0.00 0.00 +0.009 A ATOM 11 C LIG 1 1.133 -0.753 -2.271 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.712 -0.791 -3.524 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.231 -0.437 0.084 0.00 0.00 +0.014 A ATOM 14 N LIG 1 3.069 -0.674 -3.367 0.00 0.00 -0.360 N ATOM 15 H LIG 1 3.745 -0.663 -4.118 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 3.465 -0.278 0.723 0.00 0.00 +0.047 A BRANCH 7 17 ATOM 17 O LIG 1 5.843 -0.138 0.690 0.00 0.00 -0.411 OA BRANCH 17 20 ATOM 18 C LIG 1 8.859 1.916 0.964 0.00 0.00 +0.135 C ATOM 19 N LIG 1 7.904 0.833 1.099 0.00 0.00 -0.273 N ATOM 20 C LIG 1 6.744 0.864 0.331 0.00 0.00 +0.408 C ATOM 21 O LIG 1 6.543 1.690 -0.554 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 8.053 -0.035 2.254 0.00 0.00 +0.135 C ENDBRANCH 17 20 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 2 23 ATOM 23 C LIG 1 -0.503 -3.173 -2.987 0.00 0.00 +0.421 C ATOM 24 F LIG 1 -1.402 -4.203 -2.986 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -0.159 -3.010 -4.294 0.00 0.00 -0.166 F ATOM 26 F LIG 1 0.597 -3.668 -2.357 0.00 0.00 -0.166 F ENDBRANCH 2 23 BRANCH 5 27 ATOM 27 N LIG 1 -2.614 1.440 -0.635 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -1.793 1.949 -0.321 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.694 1.356 0.347 0.00 0.00 +0.087 C ATOM 30 C LIG 1 -3.414 0.362 1.498 0.00 0.00 +0.103 C ATOM 31 N LIG 1 -4.476 0.350 2.511 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -4.431 1.212 3.054 0.00 0.00 +0.123 HD ATOM 33 C LIG 1 -5.832 0.172 1.950 0.00 0.00 +0.014 C ATOM 34 C LIG 1 -6.408 -1.110 2.575 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -6.709 1.362 2.386 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -5.856 0.030 0.407 0.00 0.00 +0.023 C ATOM 37 C LIG 1 -5.066 1.130 -0.305 0.00 0.00 +0.025 C ENDBRANCH 27 29 ENDBRANCH 5 27 TORSDOF 6