REMARK  Name = BDB031503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.323  -0.353  -1.553  0.00  0.00    +0.189 C 
ATOM      2  C   LIG    1        1.157  -1.126  -2.199  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -0.061  -0.581  -1.581  0.00  0.00    -0.295 NA
ATOM      4  C   LIG    1        0.235   0.831  -1.336  0.00  0.00    +0.088 C 
ATOM      5  C   LIG    1        1.639   0.763  -0.762  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1        3.052  -1.232  -0.694  0.00  0.00    -0.486 OA
BRANCH   6  10
ATOM      7  C   LIG    1        6.837  -0.329   0.619  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        6.226   0.612  -0.157  0.00  0.00    -0.247 NA
ATOM      9  C   LIG    1        4.976   0.313  -0.590  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1        4.303  -0.868  -0.295  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        4.964  -1.800   0.505  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        6.249  -1.535   0.973  0.00  0.00    +0.036 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.946   1.762   1.113  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.699   1.213   0.656  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.040   1.789   0.139  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        8.219  -0.001   1.101  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.840  -0.760   1.834  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   3  18
ATOM     18  C   LIG    1       -1.250  -0.802  -2.406  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.531  -0.437  -1.698  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -2.842  -0.955  -0.434  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.043  -0.598   0.165  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.904   0.257  -0.515  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -6.165   0.630   0.113  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -6.535   0.167   1.325  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -5.567  -0.743   2.057  0.00  0.00    +0.253 A 
ATOM     26  O   LIG    1       -5.815  -1.171   3.182  0.00  0.00    -0.268 OA
ATOM     27  N   LIG    1       -4.644   0.768  -1.737  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1       -4.395  -1.075   1.429  0.00  0.00    -0.321 N 
ATOM     29  H   LIG    1       -3.772  -1.684   1.942  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -3.466   0.407  -2.298  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -7.808   0.549   1.977  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -8.841  -0.518   2.242  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -9.104   0.529   1.203  0.00  0.00    +0.009 C 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6