REMARK Name = BDB063437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.068 -0.594 -0.319 0.00 0.00 +0.039 A ATOM 2 C LIG 1 1.548 0.516 -1.015 0.00 0.00 +0.062 A ATOM 3 C LIG 1 2.895 0.895 -0.942 0.00 0.00 +0.140 A ATOM 4 F LIG 1 3.265 1.976 -1.645 0.00 0.00 -0.205 F ATOM 5 C LIG 1 3.812 0.180 -0.173 0.00 0.00 +0.107 A ATOM 6 C LIG 1 3.332 -0.928 0.521 0.00 0.00 +0.140 A ATOM 7 F LIG 1 4.148 -1.672 1.285 0.00 0.00 -0.205 F ATOM 8 C LIG 1 1.990 -1.312 0.453 0.00 0.00 +0.062 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 5.239 0.610 -0.118 0.00 0.00 +0.256 C ATOM 10 N LIG 1 6.087 -0.145 0.671 0.00 0.00 -0.252 N ATOM 11 H LIG 1 5.762 -0.953 1.189 0.00 0.00 +0.158 HD ATOM 12 O LIG 1 5.619 1.592 -0.752 0.00 0.00 -0.270 OA BRANCH 10 13 ATOM 13 C LIG 1 7.420 0.144 0.807 0.00 0.00 +0.201 A ATOM 14 N LIG 1 8.046 1.194 0.187 0.00 0.00 -0.326 N ATOM 15 H LIG 1 7.573 1.848 -0.426 0.00 0.00 +0.169 HD ATOM 16 C LIG 1 9.368 1.183 0.543 0.00 0.00 +0.068 A ATOM 17 C LIG 1 9.488 0.086 1.395 0.00 0.00 +0.103 A ATOM 18 C LIG 1 10.750 -0.209 1.948 0.00 0.00 +0.064 A ATOM 19 C LIG 1 11.839 0.620 1.616 0.00 0.00 +0.015 A ATOM 20 C LIG 1 11.679 1.711 0.758 0.00 0.00 +0.003 A ATOM 21 C LIG 1 10.434 2.017 0.201 0.00 0.00 +0.028 A ATOM 22 N LIG 1 8.261 -0.545 1.543 0.00 0.00 -0.214 NA BRANCH 18 23 ATOM 23 C LIG 1 10.966 -1.356 2.862 0.00 0.00 +0.244 C ATOM 24 O LIG 1 12.069 -1.602 3.336 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 9.886 -2.135 3.159 0.00 0.00 -0.325 N ATOM 26 H LIG 1 8.968 -1.934 2.768 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 10.005 -2.922 3.780 0.00 0.00 +0.145 HD ENDBRANCH 18 23 ENDBRANCH 10 13 ENDBRANCH 5 9 BRANCH 1 28 ATOM 28 N LIG 1 -0.260 -1.025 -0.351 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -0.506 -1.839 0.195 0.00 0.00 +0.155 HD BRANCH 28 32 ATOM 30 C LIG 1 -3.682 -0.912 -1.310 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -2.516 -1.289 -0.742 0.00 0.00 -0.199 NA ATOM 32 C LIG 1 -1.411 -0.567 -0.991 0.00 0.00 +0.221 A ATOM 33 N LIG 1 -1.393 0.507 -1.787 0.00 0.00 -0.223 NA ATOM 34 C LIG 1 -2.554 0.857 -2.359 0.00 0.00 +0.118 A ATOM 35 C LIG 1 -3.728 0.179 -2.159 0.00 0.00 +0.064 A BRANCH 30 36 ATOM 36 N LIG 1 -4.868 -1.666 -1.084 0.00 0.00 -0.288 N ATOM 37 C LIG 1 -4.669 -2.795 -0.166 0.00 0.00 +0.137 C BRANCH 36 45 ATOM 38 C LIG 1 -11.339 0.206 -0.853 0.00 0.00 +0.066 C ATOM 39 C LIG 1 -9.924 0.471 -0.498 0.00 0.00 +0.044 A ATOM 40 N LIG 1 -9.524 1.576 0.218 0.00 0.00 -0.270 N ATOM 41 C LIG 1 -10.372 2.628 0.731 0.00 0.00 +0.172 C ATOM 42 N LIG 1 -8.197 1.641 0.451 0.00 0.00 -0.171 NA ATOM 43 C LIG 1 -7.687 0.549 -0.139 0.00 0.00 +0.095 A ATOM 44 C LIG 1 -6.355 0.111 -0.215 0.00 0.00 +0.053 A ATOM 45 C LIG 1 -6.175 -1.103 -0.927 0.00 0.00 +0.037 A ATOM 46 C LIG 1 -7.284 -1.815 -1.512 0.00 0.00 +0.024 A ATOM 47 C LIG 1 -8.631 -1.399 -1.448 0.00 0.00 +0.013 A ATOM 48 C LIG 1 -8.754 -0.206 -0.745 0.00 0.00 +0.023 A ENDBRANCH 36 45 ENDBRANCH 30 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 7