REMARK  Name = BDB043215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.935  -0.572  -0.189  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        2.200   0.686  -0.575  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.175   1.545  -0.657  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -0.089   1.215  -0.373  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -0.360  -0.037   0.028  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.653  -0.971   0.115  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.680  -0.379   0.306  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -1.970  -1.339   1.385  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.160  -0.879   2.261  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.401  -0.525   1.541  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.316  -1.659   1.445  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.108   0.023   0.196  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.702   0.648   0.057  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1        3.050  -1.413  -0.130  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        3.857  -0.873  -0.416  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1        5.201  -5.755   0.824  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        4.281  -4.613   0.640  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1        2.947  -4.691   0.916  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        2.425  -5.490   1.262  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1        2.281  -3.551   0.688  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1        3.208  -2.699   0.242  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1        4.480  -3.324   0.200  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1        1.526   2.826  -1.078  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        2.520   2.850  -1.244  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        0.826   4.027  -1.228  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        1.504   5.135  -1.767  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        0.859   6.361  -1.962  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -0.483   6.495  -1.623  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -1.282   7.999  -1.860  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -1.178   5.414  -1.094  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -0.525   4.189  -0.903  0.00  0.00    +0.025 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5