REMARK Name = BDB065258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.209 0.651 -0.071 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -1.137 -0.325 0.242 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -0.600 -1.493 -0.285 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -1.291 -2.707 -0.158 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -2.527 -2.720 0.504 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -3.050 -1.533 1.032 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.605 -1.252 -0.881 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 -2.368 -0.314 0.912 0.00 0.00 +0.028 A ATOM 9 C LIG 1 0.840 0.038 -0.740 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.263 -3.958 0.648 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -3.675 -4.758 -0.395 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -3.549 -4.700 -1.865 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -4.354 -5.827 0.102 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -4.407 -5.745 1.481 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -3.747 -4.626 1.805 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -3.598 -4.240 3.227 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 2.083 0.748 -1.221 0.00 0.00 +0.151 C ATOM 18 N LIG 1 3.156 -0.196 -1.502 0.00 0.00 -0.258 N ATOM 19 C LIG 1 3.196 -0.487 -2.880 0.00 0.00 +0.255 C ATOM 20 O LIG 1 3.922 -1.268 -3.479 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 2.159 0.377 -3.573 0.00 0.00 +0.254 C ATOM 22 F LIG 1 1.015 -0.291 -3.877 0.00 0.00 -0.236 F ATOM 23 C LIG 1 1.859 1.454 -2.551 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 3.957 -0.799 -0.487 0.00 0.00 +0.040 A ATOM 25 C LIG 1 3.739 -0.510 0.871 0.00 0.00 +0.064 A ATOM 26 C LIG 1 4.526 -1.095 1.864 0.00 0.00 +0.160 A ATOM 27 F LIG 1 4.288 -0.790 3.147 0.00 0.00 -0.202 F ATOM 28 C LIG 1 5.544 -1.974 1.533 0.00 0.00 +0.159 A ATOM 29 F LIG 1 6.300 -2.529 2.489 0.00 0.00 -0.202 F ATOM 30 C LIG 1 5.784 -2.280 0.204 0.00 0.00 +0.043 A ATOM 31 C LIG 1 4.995 -1.695 -0.797 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -0.788 4.739 1.030 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -0.166 3.830 2.102 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -0.246 2.333 1.771 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.304 2.072 0.261 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.500 2.774 -0.413 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -1.956 4.029 0.342 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -0.017 6.215 -0.679 0.00 0.00 +0.194 C ATOM 39 O LIG 1 0.243 5.038 0.078 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5