REMARK Name = BDB027501 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.437 0.259 -0.409 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.906 1.218 0.499 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -2.086 0.928 1.184 0.00 0.00 +0.135 A ATOM 4 N LIG 1 -2.832 -0.189 0.997 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.378 -1.115 0.122 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.197 -0.914 -0.593 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.209 -2.331 -0.014 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.656 -3.583 -0.340 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -3.467 -4.711 -0.466 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -2.906 -5.886 -0.784 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.837 -4.623 -0.265 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.611 -5.710 -0.390 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.415 -3.407 0.070 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.605 -2.273 0.195 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 -0.216 2.454 0.695 0.00 0.00 -0.268 N ATOM 16 C LIG 1 -0.001 2.920 1.998 0.00 0.00 +0.220 C ATOM 17 O LIG 1 -0.298 2.287 3.012 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 0.791 4.210 2.132 0.00 0.00 +0.098 C ATOM 19 C LIG 1 0.530 5.229 1.037 0.00 0.00 +0.029 C ATOM 20 C LIG 1 0.612 4.590 -0.346 0.00 0.00 +0.069 C ATOM 21 C LIG 1 -0.402 3.437 -0.387 0.00 0.00 +0.132 C BRANCH 20 22 ATOM 22 N LIG 1 1.976 4.126 -0.629 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 2.637 4.892 -0.488 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 2.059 3.874 -1.615 0.00 0.00 +0.119 HD ENDBRANCH 20 22 ENDBRANCH 2 15 BRANCH 1 25 ATOM 25 C LIG 1 0.895 0.363 -1.110 0.00 0.00 +0.161 C BRANCH 25 30 ATOM 26 C LIG 1 3.967 -3.116 0.269 0.00 0.00 +0.147 A ATOM 27 C LIG 1 3.370 -1.845 0.282 0.00 0.00 +0.147 A ATOM 28 N LIG 1 3.626 -0.701 1.012 0.00 0.00 -0.231 NA ATOM 29 C LIG 1 2.736 0.174 0.591 0.00 0.00 +0.202 A ATOM 30 N LIG 1 1.931 -0.349 -0.387 0.00 0.00 -0.310 N ATOM 31 C LIG 1 2.328 -1.639 -0.608 0.00 0.00 +0.166 A ATOM 32 N LIG 1 1.825 -2.518 -1.492 0.00 0.00 -0.216 NA ATOM 33 C LIG 1 2.484 -3.694 -1.421 0.00 0.00 +0.225 A ATOM 34 N LIG 1 3.512 -4.034 -0.615 0.00 0.00 -0.219 NA BRANCH 26 35 ATOM 35 N LIG 1 5.019 -3.471 1.102 0.00 0.00 -0.341 N ATOM 36 H LIG 1 5.516 -2.676 1.490 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 5.561 -4.242 0.737 0.00 0.00 +0.144 HD ENDBRANCH 26 35 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 6