REMARK Name = BDB065267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.045 -0.257 0.708 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -1.405 -0.193 0.392 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.747 -1.479 0.005 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.064 -1.781 -0.370 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -4.024 -0.760 -0.358 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.662 0.535 0.027 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -0.659 -2.295 0.049 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 -2.350 0.846 0.407 0.00 0.00 +0.028 A ATOM 9 C LIG 1 0.370 -1.558 0.439 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.393 -1.044 -0.737 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -5.786 -1.519 -1.974 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -5.035 -1.866 -3.204 0.00 0.00 +0.065 C ATOM 13 N LIG 1 -7.148 -1.632 -1.906 0.00 0.00 -0.281 N ATOM 14 H LIG 1 -7.785 -1.952 -2.627 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 -7.668 -1.255 -0.729 0.00 0.00 -0.178 NA ATOM 16 C LIG 1 -6.602 -0.897 -0.003 0.00 0.00 +0.068 A ATOM 17 C LIG 1 -6.778 -0.424 1.393 0.00 0.00 +0.068 C ENDBRANCH 5 10 BRANCH 9 18 ATOM 18 C LIG 1 1.729 -2.206 0.518 0.00 0.00 +0.151 C ATOM 19 N LIG 1 2.839 -1.462 -0.036 0.00 0.00 -0.258 N ATOM 20 C LIG 1 3.973 -1.618 0.791 0.00 0.00 +0.255 C ATOM 21 O LIG 1 5.092 -1.151 0.634 0.00 0.00 -0.272 OA ATOM 22 C LIG 1 3.610 -2.552 1.931 0.00 0.00 +0.254 C ATOM 23 F LIG 1 4.057 -2.134 3.144 0.00 0.00 -0.236 F ATOM 24 C LIG 1 2.101 -2.577 1.942 0.00 0.00 +0.077 C BRANCH 19 25 ATOM 25 C LIG 1 2.913 -1.046 -1.406 0.00 0.00 +0.040 A ATOM 26 C LIG 1 3.990 -0.279 -1.880 0.00 0.00 +0.064 A ATOM 27 C LIG 1 4.041 0.140 -3.211 0.00 0.00 +0.160 A ATOM 28 F LIG 1 5.077 0.885 -3.623 0.00 0.00 -0.202 F ATOM 29 C LIG 1 3.031 -0.195 -4.096 0.00 0.00 +0.159 A ATOM 30 F LIG 1 3.082 0.211 -5.372 0.00 0.00 -0.202 F ATOM 31 C LIG 1 1.956 -0.954 -3.662 0.00 0.00 +0.043 A ATOM 32 C LIG 1 1.899 -1.375 -2.327 0.00 0.00 +0.026 A ENDBRANCH 19 25 ENDBRANCH 9 18 BRANCH 1 36 ATOM 33 C LIG 1 2.787 2.932 1.730 0.00 0.00 +0.118 C ATOM 34 C LIG 1 1.793 3.112 0.576 0.00 0.00 +0.033 C ATOM 35 C LIG 1 1.258 1.776 0.063 0.00 0.00 +0.027 C ATOM 36 C LIG 1 0.660 0.931 1.196 0.00 0.00 +0.089 C ATOM 37 C LIG 1 1.646 0.752 2.353 0.00 0.00 +0.027 C ATOM 38 C LIG 1 2.159 2.102 2.854 0.00 0.00 +0.033 C BRANCH 33 40 ATOM 39 C LIG 1 4.132 4.890 1.548 0.00 0.00 +0.194 C ATOM 40 O LIG 1 3.137 4.198 2.292 0.00 0.00 -0.380 OA ENDBRANCH 33 40 ENDBRANCH 1 36 TORSDOF 5