REMARK  Name = BDB034830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.124  -0.369  -0.691  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        0.723   0.121  -1.863  0.00  0.00    -0.133 NA
ATOM      3  N   LIG    1       -0.606   0.075  -1.736  0.00  0.00    -0.244 N 
ATOM      4  C   LIG    1       -1.502   0.544  -2.764  0.00  0.00    +0.164 C 
ATOM      5  C   LIG    1       -2.886  -0.050  -2.545  0.00  0.00    +0.132 C 
ATOM      6  N   LIG    1       -3.305   0.043  -1.139  0.00  0.00    -0.288 N 
ATOM      7  C   LIG    1       -2.410  -0.576  -0.146  0.00  0.00    +0.184 C 
ATOM      8  C   LIG    1       -4.683   0.131  -0.907  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1       -5.518   0.168  -1.807  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -0.982  -0.415  -0.523  0.00  0.00    +0.147 A 
ATOM     11  N   LIG    1        0.104  -0.708   0.163  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -5.172   0.186   0.488  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -6.097  -0.768   0.919  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -6.581  -0.718   2.226  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.154   0.292   3.090  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.250   1.260   2.649  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.762   1.215   1.343  0.00  0.00    +0.013 A 
ENDBRANCH   8  12
BRANCH   1  19
ATOM     18  C   LIG    1        3.543  -0.317  -0.971  0.00  0.00    +0.224 C 
ATOM     19  N   LIG    1        2.400  -0.557  -0.243  0.00  0.00    -0.253 N 
ATOM     20  H   LIG    1        2.434  -0.948   0.685  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        3.607   0.055  -2.137  0.00  0.00    -0.275 OA
BRANCH  18  24
ATOM     22  N   LIG    1        6.420   0.401   1.277  0.00  0.00    -0.269 N 
ATOM     23  C   LIG    1        4.970   0.441   0.954  0.00  0.00    +0.129 C 
ATOM     24  C   LIG    1        4.798  -0.584  -0.161  0.00  0.00    +0.095 C 
ATOM     25  C   LIG    1        6.094  -0.415  -0.943  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        7.141  -0.248   0.149  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1        7.508   1.799   3.035  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        7.006   1.150   2.218  0.00  0.00    +0.169 C 
ENDBRANCH  22  28
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 4