REMARK  Name = BDB032205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.754  -0.484   1.066  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -0.237   0.409   0.869  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.447   0.096   1.387  0.00  0.00    +0.119 A 
ATOM      4  C   LIG    1       -1.716  -1.064   2.108  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -0.664  -1.969   2.280  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.591  -1.674   1.755  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.017  -0.240   0.568  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        2.131   1.016  -0.103  0.00  0.00    +0.234 C 
BRANCH   8  12
ATOM      9  N   LIG    1        6.169  -0.311  -0.250  0.00  0.00    -0.303 NA
ATOM     10  C   LIG    1        4.955  -0.910  -0.828  0.00  0.00    +0.085 C 
ATOM     11  C   LIG    1        4.047   0.100  -1.530  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1        3.580   1.219  -0.580  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        4.541   1.372   0.612  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1        5.981   1.081   0.188  0.00  0.00    +0.085 C 
BRANCH   9  16
ATOM     15  C   LIG    1        8.646  -0.066  -0.477  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        7.330  -0.468  -1.136  0.00  0.00    +0.081 C 
ENDBRANCH   9  16
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -3.090  -1.341   2.652  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.924  -1.989   1.644  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -3.410  -2.723   1.162  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.680  -1.220   0.753  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -5.350  -0.047   1.126  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -6.149   0.678   0.217  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -6.315   0.208  -1.100  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -7.135   0.967  -1.964  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -7.739   2.114  -1.602  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -7.554   2.535  -0.335  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -5.666  -0.988  -1.465  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.787   1.862   0.599  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -4.879  -1.693  -0.548  0.00  0.00    +0.023 A 
BRANCH  24  30
ATOM     30  N   LIG    1       -7.382   0.572  -3.283  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -7.787  -0.357  -3.304  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -8.022   1.264  -3.666  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8