REMARK Name = BDB037374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.451 -1.986 -1.036 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.286 -0.886 -1.258 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.955 0.440 -1.046 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.048 1.180 -1.580 0.00 0.00 +0.087 A ATOM 5 N LIG 1 -2.942 0.357 -2.151 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.297 0.835 -0.338 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.323 -0.319 -0.300 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.619 -0.869 -1.663 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.777 -1.766 -0.398 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.504 -2.710 -0.055 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.894 2.044 -1.059 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.224 3.188 -0.308 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.796 4.304 -0.922 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.056 4.279 -2.286 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.611 5.347 -2.874 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.756 3.157 -3.050 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.180 2.041 -2.440 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.669 -1.806 -1.446 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.817 -1.748 -2.250 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.873 -2.633 -2.026 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.799 -3.559 -0.986 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.675 -3.596 -0.161 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.614 -2.716 -0.382 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.302 -0.235 0.797 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.189 -0.685 0.606 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 1.884 -0.274 2.113 0.00 0.00 +0.245 C ATOM 27 O LIG 1 0.704 -0.266 2.443 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 2.957 -0.376 3.143 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.268 0.060 2.893 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.263 -0.060 3.882 0.00 0.00 +0.056 A ATOM 31 C LIG 1 4.918 -0.598 5.134 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.610 -1.018 5.389 0.00 0.00 +0.001 A ATOM 33 C LIG 1 2.631 -0.904 4.399 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.671 0.419 3.617 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.616 -0.331 4.252 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.869 1.702 4.029 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.001 0.393 2.295 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.181 -3.594 -2.812 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.673 -3.333 -1.574 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.322 2.660 -1.587 0.00 0.00 +0.173 C BRANCH 40 41 ATOM 41 N LIG 1 -3.014 3.071 -0.328 0.00 0.00 -0.267 N ATOM 42 C LIG 1 -4.416 2.587 -0.249 0.00 0.00 +0.141 C BRANCH 41 43 ATOM 43 C LIG 1 -2.338 3.472 0.758 0.00 0.00 +0.169 C ATOM 44 N LIG 1 -1.748 3.820 1.692 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9