REMARK  Name = BDB032233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.016  -1.006   0.956  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.636  -0.570   1.369  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -0.499  -1.092   0.757  0.00  0.00    +0.119 A 
ATOM      4  N   LIG    1       -1.766  -0.751   1.084  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -1.916   0.143   2.082  0.00  0.00    +0.215 A 
ATOM      6  C   LIG    1       -0.855   0.734   2.748  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        0.439   0.366   2.389  0.00  0.00    +0.012 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -3.176   0.567   2.449  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.257  -0.245   1.986  0.00  0.00    +0.234 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.090   0.514   0.943  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1       -6.356  -0.292   0.603  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -7.088   0.281  -0.562  0.00  0.00    +0.110 A 
ATOM     13  N   LIG    1       -6.485   1.129  -1.455  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -7.392   1.448  -2.420  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1       -8.531   0.763  -2.067  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -5.135   1.632  -1.327  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -8.333   0.043  -0.916  0.00  0.00    -0.241 NA
ATOM     18  C   LIG    1       -4.295   0.818  -0.342  0.00  0.00    +0.029 C 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        2.766   0.145   0.467  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        2.196   0.772  -0.096  0.00  0.00    +0.146 HD
BRANCH  19  25
ATOM     21  C   LIG    1        8.039  -0.318  -1.575  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        6.716  -0.193  -1.078  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.190  -1.249  -0.298  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        4.864  -1.129   0.203  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        4.044  -0.027  -0.069  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.600   1.017  -0.808  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        7.017  -2.365  -0.055  0.00  0.00    +0.067 A 
ATOM     28 CL   LIG    1        6.511  -3.729   0.878  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        8.295  -2.382  -0.590  0.00  0.00    +0.133 A 
ATOM     30  C   LIG    1        5.901   0.936  -1.315  0.00  0.00    +0.014 A 
ATOM     31  N   LIG    1        8.815  -1.389  -1.339  0.00  0.00    -0.239 NA
BRANCH  21  32
ATOM     32  N   LIG    1        8.628   0.689  -2.352  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        8.665   1.552  -1.820  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        8.075   0.843  -3.188  0.00  0.00    +0.144 HD
ENDBRANCH  21  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 7