REMARK Name = BDB011065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.579 1.770 -0.070 0.00 0.00 +0.149 A ATOM 2 N LIG 1 -0.005 0.536 0.220 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -1.001 -0.413 0.077 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -1.983 0.252 -0.639 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -3.095 -0.323 -1.119 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -3.183 -1.621 -0.816 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.312 -2.349 -0.080 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.205 -1.747 0.413 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -1.699 1.576 -0.752 0.00 0.00 -0.209 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.372 -2.333 -1.329 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -4.447 -3.653 -1.014 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.605 -4.064 -1.593 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -6.061 -5.192 -1.558 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -6.138 -2.967 -2.211 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -7.003 -2.948 -2.733 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -5.355 -1.869 -2.044 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.373 -2.548 1.302 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.000 -2.106 2.579 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.808 -2.905 3.385 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.294 -2.359 4.937 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 1.215 -4.137 2.902 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.862 -4.615 1.687 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.066 -3.820 0.929 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.025 3.164 0.285 0.00 0.00 +0.154 C ATOM 25 C LIG 1 0.816 3.591 -0.944 0.00 0.00 +0.055 C BRANCH 24 26 ATOM 26 C LIG 1 -1.133 4.177 0.625 0.00 0.00 +0.061 A ATOM 27 C LIG 1 -2.266 3.797 1.369 0.00 0.00 +0.132 A ATOM 28 F LIG 1 -2.375 2.552 1.858 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -3.297 4.687 1.682 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -3.222 6.010 1.268 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -2.106 6.430 0.557 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -1.082 5.527 0.250 0.00 0.00 +0.132 A ATOM 33 F LIG 1 -0.032 6.025 -0.416 0.00 0.00 -0.205 F ENDBRANCH 24 26 BRANCH 24 35 ATOM 34 C LIG 1 0.467 2.857 2.676 0.00 0.00 +0.195 C ATOM 35 O LIG 1 0.946 3.048 1.354 0.00 0.00 -0.364 OA ENDBRANCH 24 35 ENDBRANCH 1 24 BRANCH 2 36 ATOM 36 C LIG 1 1.398 0.282 0.516 0.00 0.00 +0.127 C BRANCH 36 37 ATOM 37 C LIG 1 2.090 -0.757 -0.393 0.00 0.00 +0.009 C ATOM 38 C LIG 1 3.505 -1.055 0.114 0.00 0.00 +0.005 C ATOM 39 C LIG 1 4.151 -2.205 -0.665 0.00 0.00 +0.003 C ATOM 40 C LIG 1 3.839 -2.204 -2.173 0.00 0.00 -0.014 C ATOM 41 C LIG 1 2.859 -3.320 -2.547 0.00 0.00 +0.007 C ATOM 42 C LIG 1 3.336 -0.836 -2.643 0.00 0.00 +0.003 C ATOM 43 C LIG 1 2.115 -0.328 -1.872 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 7