REMARK Name = BDB033650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.087 2.220 -0.864 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.539 3.352 -1.429 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.197 4.649 -1.633 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -1.873 3.260 -1.850 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.579 2.064 -1.728 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.982 0.923 -1.172 0.00 0.00 -0.038 A ATOM 7 C LIG 1 -0.665 1.039 -0.702 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.551 2.276 -0.449 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 4.086 0.971 1.550 0.00 0.00 +0.189 C ATOM 10 O LIG 1 4.785 -0.277 1.461 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 4.441 -1.269 0.598 0.00 0.00 +0.147 A ATOM 12 C LIG 1 3.726 -1.205 -0.598 0.00 0.00 +0.147 A ATOM 13 C LIG 1 3.472 -2.378 -1.333 0.00 0.00 +0.032 A ATOM 14 C LIG 1 3.926 -3.615 -0.878 0.00 0.00 +0.002 A ATOM 15 C LIG 1 4.652 -3.688 0.305 0.00 0.00 +0.004 A ATOM 16 S LIG 1 3.175 0.324 -1.282 0.00 0.00 +0.065 S ATOM 17 O LIG 1 2.338 0.037 -2.436 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 4.321 1.197 -1.423 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 2.143 0.952 -0.085 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 4.909 -2.523 1.029 0.00 0.00 +0.047 A ATOM 21 C LIG 1 2.566 0.851 1.343 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 5.841 1.756 3.230 0.00 0.00 +0.007 C ATOM 23 C LIG 1 4.361 1.497 2.977 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -2.791 -0.384 -1.133 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -3.668 -0.428 0.116 0.00 0.00 +0.002 A ATOM 26 S LIG 1 -5.367 -0.652 -0.032 0.00 0.00 -0.087 S ATOM 27 C LIG 1 -5.625 -0.539 1.658 0.00 0.00 +0.090 A ATOM 28 C LIG 1 -4.429 -0.335 2.303 0.00 0.00 +0.141 A ATOM 29 F LIG 1 -4.312 -0.206 3.632 0.00 0.00 -0.204 F ATOM 30 C LIG 1 -3.309 -0.263 1.441 0.00 0.00 +0.051 A BRANCH 27 31 ATOM 31 C LIG 1 -6.946 -0.645 2.261 0.00 0.00 +0.169 C ATOM 32 O LIG 1 -7.131 -0.565 3.478 0.00 0.00 -0.292 OA ATOM 33 C LIG 1 -8.142 -0.873 1.363 0.00 0.00 +0.092 C ENDBRANCH 27 31 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 -2.043 -1.741 -1.430 0.00 0.00 +0.073 C ATOM 35 C LIG 1 -3.034 -2.780 -2.016 0.00 0.00 +0.023 C ATOM 36 C LIG 1 -1.396 -2.412 -0.200 0.00 0.00 +0.023 C BRANCH 34 37 ATOM 37 C LIG 1 -1.027 -1.473 -2.541 0.00 0.00 +0.311 C ATOM 38 O LIG 1 -1.298 -1.135 -3.683 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 0.251 -1.576 -2.134 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 0.797 -1.061 -2.780 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 24 34 ENDBRANCH 6 24 TORSDOF 9