REMARK Name = BDB019260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.204 1.366 -0.449 0.00 0.00 +0.096 A ATOM 2 C LIG 1 6.154 0.470 -1.520 0.00 0.00 +0.139 A ATOM 3 F LIG 1 7.201 0.312 -2.344 0.00 0.00 -0.205 F ATOM 4 C LIG 1 5.027 -0.322 -1.765 0.00 0.00 +0.067 A ATOM 5 C LIG 1 3.950 -0.180 -0.884 0.00 0.00 +0.072 A ATOM 6 C LIG 1 3.977 0.693 0.201 0.00 0.00 +0.090 A ATOM 7 N LIG 1 2.806 0.629 0.910 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 2.055 -0.254 0.286 0.00 0.00 +0.116 A ATOM 9 C LIG 1 0.669 -0.671 0.661 0.00 0.00 +0.082 C ATOM 10 C LIG 1 -0.387 0.412 0.366 0.00 0.00 +0.068 C ATOM 11 C LIG 1 -1.706 -0.411 0.303 0.00 0.00 +0.134 C ATOM 12 C LIG 1 -2.755 0.230 -0.582 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -3.875 0.557 0.189 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -4.991 1.172 -0.338 0.00 0.00 +0.043 A ATOM 15 C LIG 1 -4.965 1.473 -1.699 0.00 0.00 +0.043 A ATOM 16 C LIG 1 -3.848 1.161 -2.494 0.00 0.00 +0.020 A ATOM 17 CL LIG 1 -6.327 2.240 -2.422 0.00 0.00 -0.083 Cl ATOM 18 N LIG 1 -3.689 0.167 1.505 0.00 0.00 -0.283 N ATOM 19 H LIG 1 -4.355 0.272 2.256 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -2.729 0.535 -1.935 0.00 0.00 +0.009 A ATOM 21 N LIG 1 -1.293 -1.795 -0.020 0.00 0.00 -0.281 NA ATOM 22 C LIG 1 -2.448 -0.437 1.690 0.00 0.00 +0.243 C ATOM 23 O LIG 1 -2.045 -0.891 2.751 0.00 0.00 -0.273 OA ATOM 24 C LIG 1 0.159 -1.871 -0.163 0.00 0.00 +0.071 C ATOM 25 C LIG 1 0.651 -1.836 -1.623 0.00 0.00 +0.041 C ATOM 26 C LIG 1 2.176 -1.795 -1.669 0.00 0.00 +0.125 C ATOM 27 N LIG 1 2.716 -0.768 -0.802 0.00 0.00 -0.327 N ATOM 28 C LIG 1 5.115 1.478 0.433 0.00 0.00 +0.047 A ENDROOT BRANCH 10 29 ATOM 29 C LIG 1 -0.400 1.651 1.248 0.00 0.00 -0.004 A ATOM 30 C LIG 1 -0.778 2.883 0.690 0.00 0.00 +0.145 A ATOM 31 F LIG 1 -1.105 2.937 -0.612 0.00 0.00 -0.204 F ATOM 32 C LIG 1 -0.820 4.048 1.457 0.00 0.00 +0.076 A ATOM 33 CL LIG 1 -1.297 5.545 0.752 0.00 0.00 -0.081 Cl ATOM 34 C LIG 1 -0.481 4.005 2.806 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -0.101 2.794 3.380 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -0.061 1.627 2.609 0.00 0.00 +0.007 A ENDBRANCH 10 29 BRANCH 1 38 ATOM 37 O LIG 1 7.661 2.704 0.900 0.00 0.00 -0.245 OA ATOM 38 C LIG 1 7.384 2.209 -0.177 0.00 0.00 +0.340 C BRANCH 38 39 ATOM 39 O LIG 1 8.132 2.450 -1.265 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 8.854 3.027 -0.942 0.00 0.00 +0.295 HD ENDBRANCH 38 39 ENDBRANCH 1 38 BRANCH 21 41 ATOM 41 C LIG 1 -2.109 -2.690 -0.812 0.00 0.00 +0.089 C BRANCH 41 42 ATOM 42 C LIG 1 -3.403 -3.025 -0.132 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -3.418 -3.732 1.202 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -3.866 -4.459 -0.032 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 21 41 TORSDOF 5