REMARK Name = BDB020051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.521 0.454 1.390 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.110 1.722 1.292 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.441 1.875 0.871 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -3.177 0.718 0.560 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.604 -0.560 0.655 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.276 -0.681 1.087 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.042 3.217 0.763 0.00 0.00 -0.000 A ATOM 8 C LIG 1 -3.504 3.757 -0.460 0.00 0.00 +0.062 A ATOM 9 C LIG 1 -4.062 5.043 -0.502 0.00 0.00 +0.057 A ATOM 10 C LIG 1 -4.161 5.792 0.663 0.00 0.00 +0.125 A ATOM 11 F LIG 1 -4.696 7.018 0.614 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.713 5.289 1.875 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.156 4.010 1.925 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -3.416 3.022 -1.691 0.00 0.00 +0.100 C ATOM 15 N LIG 1 -3.380 2.428 -2.688 0.00 0.00 -0.191 NA ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 1.593 -0.758 1.423 0.00 0.00 -0.304 N ATOM 17 H LIG 1 1.177 -1.375 0.741 0.00 0.00 +0.150 HD ATOM 18 C LIG 1 0.903 0.366 1.820 0.00 0.00 +0.245 C ATOM 19 O LIG 1 1.401 1.279 2.469 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 3.021 -0.875 1.632 0.00 0.00 +0.107 C BRANCH 20 27 ATOM 21 C LIG 1 4.091 -0.511 -3.326 0.00 0.00 +0.047 C ATOM 22 C LIG 1 4.328 -0.097 -1.907 0.00 0.00 -0.015 A ATOM 23 C LIG 1 5.245 0.913 -1.613 0.00 0.00 +0.126 A ATOM 24 F LIG 1 5.939 1.494 -2.602 0.00 0.00 -0.205 F ATOM 25 C LIG 1 5.457 1.337 -0.306 0.00 0.00 +0.039 A ATOM 26 C LIG 1 4.738 0.753 0.736 0.00 0.00 +0.008 A ATOM 27 C LIG 1 3.799 -0.260 0.477 0.00 0.00 -0.027 A ATOM 28 C LIG 1 3.599 -0.670 -0.856 0.00 0.00 +0.011 A ENDBRANCH 20 27 BRANCH 20 29 ATOM 29 C LIG 1 3.372 -2.335 1.785 0.00 0.00 +0.014 C ATOM 30 C LIG 1 3.159 -3.028 3.110 0.00 0.00 +0.006 C ATOM 31 C LIG 1 4.555 -2.759 2.622 0.00 0.00 +0.006 C ENDBRANCH 20 29 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 32 ATOM 32 C LIG 1 -3.379 -1.794 0.250 0.00 0.00 +0.141 C BRANCH 32 33 ATOM 33 N LIG 1 -3.076 -2.182 -1.111 0.00 0.00 -0.315 N ATOM 34 C LIG 1 -1.983 -2.911 -1.494 0.00 0.00 +0.089 C ATOM 35 N LIG 1 -1.161 -3.544 -0.732 0.00 0.00 -0.289 NA ATOM 36 H LIG 1 -0.447 -4.007 -1.304 0.00 0.00 +0.188 HD ATOM 37 C LIG 1 -1.823 -2.855 -2.996 0.00 0.00 +0.072 C ATOM 38 C LIG 1 -3.172 -2.279 -3.427 0.00 0.00 +0.026 C ATOM 39 C LIG 1 -3.636 -1.446 -2.232 0.00 0.00 +0.107 C ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8