REMARK  Name = BDB032030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.186  -0.410  -0.205  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.147  -0.292  -0.053  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.877  -1.276  -0.580  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.281  -1.423  -0.579  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -2.591  -2.652  -1.230  0.00  0.00    +0.332 A 
ATOM      6  N   LIG    1       -1.369  -3.204  -1.651  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.196  -4.450  -2.341  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.695  -3.145  -1.393  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.345  -2.359  -1.240  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        1.006  -2.416  -1.358  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.784  -1.442  -0.843  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.281  -0.555   0.080  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -2.709   0.788   0.608  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1       -3.747   1.742   1.213  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -5.102   1.707   0.511  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -4.982   1.175  -0.905  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.427  -0.250  -0.941  0.00  0.00    +0.031 C 
ATOM     18  C   LIG    1       -3.851  -1.341   1.288  0.00  0.00    +0.035 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -5.653   3.018   0.468  0.00  0.00    -0.392 OA
ATOM     20  H   LIG    1       -5.757   3.324   1.385  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        1.922   0.640   0.340  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        1.275   1.295   0.751  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        2.734   3.235   1.364  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        3.713   2.154   0.988  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        3.290   0.899   0.503  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.284  -0.030   0.159  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        5.645   0.231   0.298  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1        6.055   1.486   0.798  0.00  0.00    +0.090 A 
ATOM     29  N   LIG    1        7.359   1.793   0.955  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        8.246   0.837   0.609  0.00  0.00    +0.131 A 
ATOM     31  C   LIG    1        7.849  -0.390   0.121  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        6.549  -0.713  -0.042  0.00  0.00    -0.252 NA
ATOM     33  C   LIG    1        5.087   2.420   1.131  0.00  0.00    +0.035 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4