REMARK  Name = BDB004035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.269  -0.175  -0.685  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.141   0.134  -0.017  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.039   0.000  -0.647  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.150  -0.410  -1.915  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.011  -0.683  -2.568  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -1.232  -0.580  -1.998  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.451  -0.008   0.030  0.00  0.00    -0.296 N 
ATOM      8  H   LIG    1       -2.272   0.441   0.924  0.00  0.00    +0.154 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -4.777   0.087   0.709  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1       -3.750  -0.551  -0.031  0.00  0.00    +0.075 A 
ATOM     11  C   LIG    1       -4.088  -1.655  -0.824  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.404  -2.118  -0.888  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.404  -1.481  -0.161  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.093  -0.382   0.640  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.374   1.894   2.151  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -4.365   1.151   1.479  0.00  0.00    -0.493 OA
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  N   LIG    1        2.151   0.324   0.127  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        1.833   0.605   1.042  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.529   0.334  -0.103  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        4.380   0.730   0.944  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        5.771   0.764   0.785  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        6.343   0.399  -0.435  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.513   0.003  -1.486  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        4.122  -0.028  -1.317  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        7.808   0.416  -0.658  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        8.378   0.112  -1.690  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        8.497   0.815   0.426  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        9.431   0.776   0.134  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 7