REMARK  Name = BDB012421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.062  -1.005  -0.439  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.013  -0.245   0.352  0.00  0.00    +0.157 C 
ATOM      3  N   LIG    1       -1.255  -0.790  -0.163  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.978  -1.614  -1.251  0.00  0.00    +0.255 C 
ATOM      5  O   LIG    1       -1.760  -2.181  -2.001  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1        0.493  -1.769  -1.393  0.00  0.00    +0.077 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.525  -0.516   0.354  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -3.671  -0.885  -0.252  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1       -4.926  -0.595   0.262  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1       -6.094  -1.026  -0.493  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.107   0.114   1.444  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -6.202   0.413   1.915  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.853   0.507   2.156  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -4.018   1.231   3.454  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.661   0.191   1.621  0.00  0.00    +0.033 A 
ENDBRANCH   3   7
BRANCH   2  16
ATOM     16  C   LIG    1        0.083   1.271   0.160  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1        0.370   2.105   1.256  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        0.473   3.489   1.097  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        0.287   4.057  -0.160  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        0.426   5.760  -0.357  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -0.005   3.254  -1.258  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.107   1.869  -1.100  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   6  23
ATOM     23  C   LIG    1        1.069  -2.662  -2.435  0.00  0.00    +0.049 C 
ATOM     24  N   LIG    1        0.393  -3.275  -3.350  0.00  0.00    -0.303 NA
ATOM     25  H   LIG    1       -0.617  -3.078  -3.239  0.00  0.00    +0.186 HD
BRANCH  23  26
ATOM     26  C   LIG    1        2.538  -2.882  -2.482  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        3.097  -4.224  -2.914  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        3.209  -3.803  -1.484  0.00  0.00    +0.010 C 
ENDBRANCH  23  26
ENDBRANCH   6  23
BRANCH   1  29
ATOM     29  N   LIG    1        2.413  -0.867  -0.143  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        3.061  -1.411  -0.702  0.00  0.00    +0.146 HD
BRANCH  29  31
ATOM     31  C   LIG    1        3.039  -0.183   0.979  0.00  0.00    +0.129 C 
BRANCH  31  32
ATOM     32  C   LIG    1        3.750   1.095   0.526  0.00  0.00    +0.178 C 
BRANCH  32  34
ATOM     33  C   LIG    1        4.826   3.034   1.319  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1        4.215   1.801   1.678  0.00  0.00    -0.381 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 8