REMARK  Name = BDB032204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.098  -1.657   0.421  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -1.658  -0.494  -1.180  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.129   0.233  -0.176  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1        0.069  -0.173   0.303  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1        0.765  -1.282  -0.167  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        0.189  -2.006  -1.214  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -1.043  -1.609  -1.727  0.00  0.00    +0.067 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -2.881  -0.151  -1.720  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -3.487   1.011  -1.147  0.00  0.00    +0.234 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -7.929   1.155   0.809  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -6.849   0.609   1.626  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -6.272  -0.611   1.047  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -5.393  -0.366  -0.182  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1       -4.297   0.669   0.114  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -4.912   1.935   0.720  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -5.808   1.603   1.915  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  N   LIG    1        3.105  -0.714  -0.043  0.00  0.00    -0.339 N 
ATOM     18  H   LIG    1        3.016  -0.538  -1.041  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.461  -0.880   0.308  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        5.454  -0.034  -0.284  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        6.816  -0.185   0.075  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        7.767   0.656  -0.544  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        7.461   1.589  -1.463  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        6.162   1.731  -1.776  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1        7.168  -1.157   1.033  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        6.199  -1.938   1.652  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.147   0.969  -1.224  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        4.860  -1.786   1.304  0.00  0.00    +0.023 A 
BRANCH  22  29
ATOM     29  N   LIG    1        9.132   0.583  -0.238  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1        9.577   1.311  -0.792  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        9.278   0.739   0.753  0.00  0.00    +0.144 HD
ENDBRANCH  22  29
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7