REMARK Name = BDB061169 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.049 0.181 0.002 0.00 0.00 +0.097 A ATOM 2 C LIG 1 -0.650 -0.559 1.048 0.00 0.00 +0.186 A ATOM 3 N LIG 1 -2.014 -0.474 1.170 0.00 0.00 -0.252 N ATOM 4 C LIG 1 -2.332 -1.291 2.217 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -1.238 -1.822 2.719 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -2.817 0.305 0.326 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.252 0.973 -0.644 0.00 0.00 -0.222 NA ATOM 8 N LIG 1 -0.171 -1.360 1.979 0.00 0.00 -0.128 NA ATOM 9 C LIG 1 -0.876 0.896 -0.784 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.160 0.708 -0.994 0.00 0.00 +0.248 C ATOM 11 N LIG 1 1.321 0.074 -0.099 0.00 0.00 -0.277 N ATOM 12 H LIG 1 1.747 -0.503 0.622 0.00 0.00 +0.155 HD ATOM 13 O LIG 1 1.816 1.531 -1.835 0.00 0.00 -0.270 OA BRANCH 10 17 ATOM 14 C LIG 1 6.351 -0.216 -0.670 0.00 0.00 -0.033 A ATOM 15 C LIG 1 5.395 -1.203 -0.391 0.00 0.00 +0.005 A ATOM 16 C LIG 1 4.029 -0.921 -0.494 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.604 0.359 -0.872 0.00 0.00 +0.037 A ATOM 18 C LIG 1 4.553 1.342 -1.173 0.00 0.00 +0.013 A ATOM 19 C LIG 1 5.916 1.057 -1.069 0.00 0.00 +0.005 A BRANCH 14 20 ATOM 20 C LIG 1 7.832 -0.524 -0.572 0.00 0.00 +0.119 C BRANCH 20 22 ATOM 21 C LIG 1 9.998 0.188 0.196 0.00 0.00 +0.104 C ATOM 22 N LIG 1 8.554 0.366 0.354 0.00 0.00 -0.304 NA ATOM 23 C LIG 1 8.172 0.115 1.746 0.00 0.00 +0.104 C ENDBRANCH 20 22 ENDBRANCH 14 20 ENDBRANCH 10 17 ENDBRANCH 1 11 BRANCH 6 24 ATOM 24 N LIG 1 -4.180 0.334 0.539 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -4.512 0.137 1.476 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -5.021 1.293 -0.160 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -6.462 0.916 0.030 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -7.044 -0.154 -0.643 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -6.444 -1.128 -1.588 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -7.724 -1.779 -2.114 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -8.782 -1.592 -1.145 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -8.370 -0.504 -0.421 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -9.173 0.179 0.469 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -8.613 1.259 1.151 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -7.276 1.615 0.930 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -6.766 2.644 1.623 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 7