REMARK  Name = BDB031605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.399  -0.396  -0.466  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -1.497  -1.331  -0.078  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.102   0.057  -0.648  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1        0.168   0.943  -1.453  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.927  -0.668   0.223  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        2.145   0.163   0.591  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1        3.426  -0.421   0.588  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        4.536   0.374   0.902  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.381   1.702   1.301  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.110   2.260   1.369  0.00  0.00    +0.000 A 
ATOM     11  N   LIG    1        3.640  -1.738   0.152  0.00  0.00    -0.344 N 
ATOM     12  H   LIG    1        4.482  -2.141   0.555  0.00  0.00    +0.146 HD
ATOM     13  C   LIG    1        2.486  -2.619   0.205  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1        1.998   1.495   1.019  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.308  -1.968  -0.495  0.00  0.00    +0.036 C 
ENDBRANCH   3   5
BRANCH   1  22
ATOM     16  O   LIG    1       -5.757   0.914   0.993  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.837   0.751   0.197  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -4.807  -0.346  -0.624  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -5.550  -1.008  -0.440  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -3.658  -0.901  -1.124  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -3.556  -2.122  -1.250  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -2.471   0.041  -1.357  0.00  0.00    +0.160 C 
ATOM     23  C   LIG    1       -2.882   1.501  -1.161  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.644   1.674   0.142  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
TORSDOF 2