REMARK Name = BDB040388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.649 1.430 -0.348 0.00 0.00 -0.028 A ATOM 2 C LIG 1 1.302 0.417 -1.056 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.480 -0.164 -0.565 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 3.192 -1.382 -1.571 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.043 0.243 0.664 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.377 1.275 1.359 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 2.966 1.927 2.852 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 1.197 1.851 0.865 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.317 -0.382 1.230 0.00 0.00 +0.108 C ATOM 10 C LIG 1 4.258 -1.905 1.332 0.00 0.00 +0.227 C ATOM 11 O LIG 1 3.242 -2.518 1.650 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 5.440 -2.577 1.133 0.00 0.00 -0.256 N ATOM 13 H LIG 1 5.391 -3.583 1.219 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 6.705 -2.049 1.074 0.00 0.00 +0.219 C ATOM 15 O LIG 1 7.696 -2.772 1.099 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 6.807 -0.543 1.075 0.00 0.00 +0.097 C ATOM 17 C LIG 1 5.564 0.095 0.475 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.637 2.016 -0.866 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 -2.272 0.253 -1.447 0.00 0.00 +0.225 C ATOM 20 N LIG 1 -1.749 1.156 -0.544 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.079 1.134 0.415 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.885 0.195 -2.612 0.00 0.00 -0.275 OA BRANCH 19 24 ATOM 23 C LIG 1 -2.734 -1.554 0.221 0.00 0.00 +0.027 C ATOM 24 C LIG 1 -3.368 -0.675 -0.881 0.00 0.00 +0.083 C ATOM 25 C LIG 1 -3.871 -1.632 -1.983 0.00 0.00 +0.027 C BRANCH 24 26 ATOM 26 C LIG 1 -4.527 0.176 -0.350 0.00 0.00 +0.056 A ATOM 27 N LIG 1 -4.725 0.204 0.996 0.00 0.00 -0.256 NA ATOM 28 C LIG 1 -5.741 0.967 1.470 0.00 0.00 +0.149 A ATOM 29 C LIG 1 -6.565 1.727 0.665 0.00 0.00 +0.141 A ATOM 30 F LIG 1 -7.548 2.465 1.193 0.00 0.00 -0.204 F ATOM 31 C LIG 1 -6.351 1.719 -0.702 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -5.318 0.938 -1.219 0.00 0.00 +0.027 A ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5