REMARK  Name = BDB037020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.259  -0.051   0.441  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.418   0.340   1.451  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.017   1.460   1.719  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.022  -0.866   2.174  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -1.637  -1.936   1.549  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -1.443  -3.237   1.963  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.589  -3.435   3.050  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.057  -2.344   3.672  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.140  -1.026   3.232  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -2.395  -1.410   0.416  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -2.977  -2.105  -0.393  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -3.183   0.321  -4.723  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.067   0.477  -3.511  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -1.943   1.049  -2.982  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -1.192   1.114  -3.660  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.536   0.792  -1.702  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -0.356   0.564  -1.444  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.634   0.861  -0.632  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.044   0.682  -1.199  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.082  -0.057  -2.528  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        0.539   0.061   3.811  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1        0.199   0.941   3.405  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.009   0.004   3.677  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.580   0.054   2.294  0.00  0.00    +0.100 A 
ATOM     25  N   LIG    1        3.556  -0.819   1.902  0.00  0.00    -0.133 NA
ATOM     26  N   LIG    1        3.865  -0.553   0.640  0.00  0.00    -0.060 NA
ATOM     27  N   LIG    1        3.092   0.476   0.209  0.00  0.00    -0.218 N 
ATOM     28  C   LIG    1        2.280   0.890   1.239  0.00  0.00    +0.141 A 
BRANCH  27  29
ATOM     29  C   LIG    1        3.206   0.989  -1.102  0.00  0.00    +0.085 A 
ATOM     30  C   LIG    1        2.414   2.042  -1.541  0.00  0.00    +0.138 A 
ATOM     31  N   LIG    1        2.494   2.579  -2.785  0.00  0.00    -0.261 NA
ATOM     32  C   LIG    1        3.401   2.035  -3.626  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        4.231   0.980  -3.284  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        4.132   0.448  -2.001  0.00  0.00    +0.031 A 
ENDBRANCH  27  29
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 5