REMARK  Name = BDB032032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.175  -0.245   0.091  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.006   0.402   0.126  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.083  -0.386   0.124  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -3.433   0.003   0.153  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -4.227  -1.165   0.262  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -3.346  -2.258   0.168  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.703  -3.643   0.282  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.435  -1.217   0.424  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.047  -1.761   0.112  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.824  -2.345   0.085  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.297  -1.593   0.072  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.923   1.341   0.401  0.00  0.00    +0.121 C 
ATOM     13  C   LIG    1       -5.255   1.658  -0.287  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -5.314   3.080  -0.493  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -4.049   3.636  -0.128  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1       -3.066   2.489  -0.101  0.00  0.00    +0.055 C 
ENDBRANCH   4  12
BRANCH   1  17
ATOM     17  N   LIG    1        1.290   0.590   0.093  0.00  0.00    -0.283 N 
ATOM     18  H   LIG    1        0.966   1.546   0.101  0.00  0.00    +0.155 HD
BRANCH  17  21
ATOM     19  C   LIG    1        3.067   2.870   0.395  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1        3.558   1.471   0.130  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        2.672   0.384  -0.024  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.235  -0.882  -0.245  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.607  -1.095  -0.340  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        5.483   0.003  -0.198  0.00  0.00    +0.090 A 
ATOM     25  N   LIG    1        6.821  -0.144  -0.281  0.00  0.00    -0.252 NA
ATOM     26  C   LIG    1        7.274  -1.395  -0.506  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        6.422  -2.470  -0.645  0.00  0.00    +0.131 A 
ATOM     28  N   LIG    1        5.081  -2.340  -0.565  0.00  0.00    -0.252 NA
ATOM     29  C   LIG    1        4.945   1.258   0.034  0.00  0.00    +0.035 A 
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3