REMARK Name = BDB040546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.542 -1.666 1.011 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.482 -1.545 2.035 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -2.707 -0.898 1.813 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 -3.794 -0.859 3.163 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -3.028 -0.332 0.561 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.071 -0.474 -0.467 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 -2.320 0.121 -2.075 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 -0.851 -1.127 -0.241 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -4.359 0.388 0.348 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -4.204 1.801 -0.210 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -3.298 2.561 0.127 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -5.194 2.235 -1.059 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -5.088 3.177 -1.408 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -6.414 1.652 -1.288 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -7.295 2.246 -1.903 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -6.643 0.298 -0.663 0.00 0.00 +0.097 C ATOM 17 C LIG 1 -5.334 -0.455 -0.482 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 0.788 -2.331 1.249 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 2.676 -1.030 0.322 0.00 0.00 +0.226 C ATOM 20 N LIG 1 1.833 -1.340 1.377 0.00 0.00 -0.310 N ATOM 21 H LIG 1 1.792 -0.729 2.181 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.619 -1.656 -0.735 0.00 0.00 -0.275 OA BRANCH 19 24 ATOM 23 C LIG 1 4.484 -0.126 1.840 0.00 0.00 +0.029 C ATOM 24 C LIG 1 3.644 0.145 0.575 0.00 0.00 +0.101 C ATOM 25 C LIG 1 2.825 1.433 0.803 0.00 0.00 +0.029 C BRANCH 24 26 ATOM 26 C LIG 1 4.566 0.307 -0.634 0.00 0.00 +0.143 A ATOM 27 N LIG 1 5.705 -0.421 -0.670 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 6.481 -0.290 -1.770 0.00 0.00 +0.134 A ATOM 29 C LIG 1 6.179 0.540 -2.821 0.00 0.00 +0.077 A ATOM 30 CL LIG 1 7.186 0.682 -4.194 0.00 0.00 -0.080 Cl ATOM 31 C LIG 1 5.013 1.254 -2.688 0.00 0.00 +0.134 A ATOM 32 N LIG 1 4.198 1.165 -1.613 0.00 0.00 -0.238 NA ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5