REMARK Name = BDB026558 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.185 0.506 -0.274 0.00 0.00 +0.075 C ATOM 2 C LIG 1 1.198 1.256 -1.183 0.00 0.00 +0.034 C ATOM 3 C LIG 1 2.648 0.939 -0.818 0.00 0.00 +0.086 C ATOM 4 N LIG 1 2.958 -0.487 -1.006 0.00 0.00 -0.298 NA ATOM 5 C LIG 1 1.851 -1.377 -0.617 0.00 0.00 +0.086 C ATOM 6 C LIG 1 0.874 -0.730 0.361 0.00 0.00 +0.034 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.014 0.140 -1.154 0.00 0.00 +0.311 C ATOM 8 O LIG 1 -1.531 0.880 -1.981 0.00 0.00 -0.250 OA BRANCH 7 9 ATOM 9 O LIG 1 -1.536 -1.070 -0.877 0.00 0.00 -0.480 OA ATOM 10 H LIG 1 -2.521 -0.946 -0.981 0.00 0.00 +0.295 HD ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 1 11 ATOM 11 C LIG 1 -0.338 1.460 0.837 0.00 0.00 +0.076 C BRANCH 11 14 ATOM 12 C LIG 1 -3.504 -0.069 1.952 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.579 0.586 1.223 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 -1.359 0.836 1.760 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -1.046 0.494 3.067 0.00 0.00 +0.148 A ATOM 16 F LIG 1 0.173 0.743 3.565 0.00 0.00 -0.203 F ATOM 17 C LIG 1 -2.006 -0.136 3.854 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -1.686 -0.557 5.255 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -3.245 -0.436 3.274 0.00 0.00 +0.050 A BRANCH 12 20 ATOM 20 N LIG 1 -4.742 -0.434 1.380 0.00 0.00 -0.283 N ATOM 21 H LIG 1 -5.492 -0.203 2.017 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 -7.301 -0.178 -2.849 0.00 0.00 +0.065 C ATOM 23 C LIG 1 -6.287 -0.336 -1.785 0.00 0.00 +0.035 A ATOM 24 N LIG 1 -4.973 -0.588 -2.058 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -4.525 -0.675 -2.965 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 -4.215 -0.744 -0.958 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 -5.043 -0.470 0.059 0.00 0.00 +0.146 A ATOM 28 C LIG 1 -6.363 -0.260 -0.412 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 12 20 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 4 29 ATOM 29 C LIG 1 4.215 -0.863 -0.334 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 C LIG 1 5.436 -0.191 -0.936 0.00 0.00 -0.014 A ATOM 31 C LIG 1 6.258 0.712 -0.233 0.00 0.00 +0.064 A ATOM 32 CL LIG 1 5.898 1.128 1.413 0.00 0.00 -0.082 Cl ATOM 33 C LIG 1 7.373 1.284 -0.873 0.00 0.00 +0.060 A ATOM 34 CL LIG 1 8.431 2.402 -0.079 0.00 0.00 -0.082 Cl ATOM 35 C LIG 1 7.671 0.964 -2.201 0.00 0.00 +0.021 A ATOM 36 C LIG 1 6.863 0.076 -2.902 0.00 0.00 +0.002 A ATOM 37 C LIG 1 5.757 -0.495 -2.276 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 8