REMARK  Name = BDB060018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.441   0.913   0.110  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1        0.828   1.650  -1.196  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1        0.983   1.161  -2.306  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1        0.939   2.972  -0.878  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1        1.321   3.992  -1.826  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1        0.592   3.137   0.409  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1        0.266   2.071   1.064  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -0.961   0.180  -0.006  0.00  0.00    +0.014 C 
ATOM      9  C   LIG    1       -0.926  -1.048  -0.964  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1       -2.305  -1.730  -1.058  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1       -3.337  -0.728  -1.588  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -3.424   0.459  -0.632  0.00  0.00    +0.115 C 
ATOM     13  C   LIG    1       -3.853  -0.018   0.758  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -2.825  -1.021   1.296  0.00  0.00    -0.005 C 
ATOM     15  F   LIG    1       -4.339   1.346  -1.098  0.00  0.00    -0.242 F 
ATOM     16  C   LIG    1       -2.733  -2.215   0.336  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -2.060   1.152  -0.542  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1       -1.446  -0.339   1.387  0.00  0.00    +0.014 C 
BRANCH  10  19
ATOM     19  O   LIG    1       -2.239  -2.835  -1.949  0.00  0.00    -0.388 OA
ATOM     20  H   LIG    1       -1.562  -3.451  -1.618  0.00  0.00    +0.210 HD
ENDBRANCH  10  19
ENDBRANCH   1   8
BRANCH   1  24
ATOM     21  C   LIG    1        3.679  -1.671   1.532  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        3.366  -1.624   0.176  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        2.332  -0.797  -0.284  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        1.587   0.005   0.598  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        1.919  -0.058   1.962  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.949  -0.884   2.420  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1        5.448  -3.230   1.235  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        4.658  -2.433   2.108  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH   1  24
BRANCH   6  29
ATOM     29  N   LIG    1        0.555   4.359   0.990  0.00  0.00    -0.331 N 
ATOM     30  H   LIG    1        0.293   5.138   0.402  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        0.065   4.349   1.879  0.00  0.00    +0.145 HD
ENDBRANCH   6  29
TORSDOF 5