REMARK Name = BDB032887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.310 -0.602 0.079 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.006 -1.134 0.217 0.00 0.00 +0.058 A ATOM 3 C LIG 1 -0.797 -2.524 0.142 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -1.864 -3.382 -0.116 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.141 -2.861 -0.293 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.363 -1.483 -0.192 0.00 0.00 +0.024 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -3.481 2.978 0.412 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -3.676 1.516 0.093 0.00 0.00 +0.214 C ATOM 9 N LIG 1 -2.509 0.793 0.229 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -1.682 1.308 0.541 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -4.777 1.085 -0.230 0.00 0.00 -0.276 OA ENDBRANCH 1 9 BRANCH 2 12 ATOM 12 C LIG 1 0.164 -0.229 0.450 0.00 0.00 +0.250 C ATOM 13 N LIG 1 1.344 -0.620 -0.159 0.00 0.00 -0.281 N ATOM 14 H LIG 1 1.292 -1.397 -0.805 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -0.014 0.801 1.095 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 2.602 0.013 -0.072 0.00 0.00 +0.034 A ATOM 17 C LIG 1 2.877 1.092 0.770 0.00 0.00 +0.024 A ATOM 18 C LIG 1 4.157 1.660 0.804 0.00 0.00 +0.016 A ATOM 19 C LIG 1 5.168 1.147 -0.004 0.00 0.00 +0.013 A ATOM 20 I LIG 1 7.065 1.990 0.048 0.00 0.00 -0.044 I ATOM 21 C LIG 1 4.910 0.067 -0.844 0.00 0.00 +0.016 A ATOM 22 C LIG 1 3.631 -0.498 -0.875 0.00 0.00 +0.024 A ENDBRANCH 13 16 ENDBRANCH 2 12 TORSDOF 3