REMARK Name = BDB047043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.525 -0.887 -2.948 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.273 -0.950 -2.329 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.098 -0.513 -0.996 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.050 -0.383 -0.156 0.00 0.00 -0.014 A ATOM 5 C LIG 1 0.402 0.090 1.071 0.00 0.00 +0.028 A ATOM 6 N LIG 1 1.787 0.259 1.012 0.00 0.00 -0.280 N ATOM 7 C LIG 1 2.616 0.676 2.088 0.00 0.00 +0.263 C ATOM 8 O LIG 1 2.116 1.368 2.975 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 -0.387 0.356 2.312 0.00 0.00 +0.064 C ATOM 10 C LIG 1 2.209 -0.056 -0.285 0.00 0.00 +0.057 A ATOM 11 C LIG 1 3.464 0.058 -0.918 0.00 0.00 +0.030 A ATOM 12 C LIG 1 3.606 -0.372 -2.245 0.00 0.00 +0.048 A ENDROOT BRANCH 7 13 ATOM 13 C LIG 1 4.044 0.316 2.251 0.00 0.00 +0.040 A ATOM 14 C LIG 1 4.942 1.286 2.715 0.00 0.00 +0.015 A ATOM 15 C LIG 1 6.286 0.956 2.905 0.00 0.00 +0.021 A ATOM 16 C LIG 1 6.724 -0.343 2.647 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 8.379 -0.747 2.880 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 5.829 -1.319 2.209 0.00 0.00 +0.021 A ATOM 19 C LIG 1 4.483 -0.994 2.018 0.00 0.00 +0.015 A ENDBRANCH 7 13 BRANCH 1 21 ATOM 20 C LIG 1 3.797 -1.318 -4.912 0.00 0.00 +0.277 C ATOM 21 O LIG 1 2.545 -1.340 -4.239 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 4 22 ATOM 22 C LIG 1 -1.465 -0.723 -0.543 0.00 0.00 +0.076 C BRANCH 22 23 ATOM 23 C LIG 1 -2.181 0.581 -0.828 0.00 0.00 -0.001 A ATOM 24 C LIG 1 -3.274 1.010 -0.055 0.00 0.00 +0.126 A ATOM 25 C LIG 1 -3.873 2.249 -0.297 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.455 3.036 -1.369 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -2.422 2.595 -2.188 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -1.788 1.381 -1.918 0.00 0.00 +0.007 A BRANCH 24 29 ATOM 29 O LIG 1 -3.690 0.255 1.009 0.00 0.00 -0.475 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.928 -0.457 0.825 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -6.103 0.427 1.275 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -4.835 -1.636 1.813 0.00 0.00 +0.067 C BRANCH 30 33 ATOM 33 C LIG 1 -5.173 -1.112 -0.558 0.00 0.00 +0.348 C ATOM 34 O LIG 1 -4.357 -1.728 -1.230 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.446 -1.022 -0.999 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 -6.421 -1.477 -1.868 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8