REMARK  Name = BDB031633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.397  -0.829   0.157  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        1.399  -0.335  -0.655  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1        1.160   0.571  -1.056  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.551  -1.778   0.920  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -2.749   2.472  -1.465  0.00  0.00    +0.172 C 
ATOM      6  N   LIG    1       -2.278   1.349  -0.693  0.00  0.00    -0.270 N 
ATOM      7  C   LIG    1       -2.970   0.596   0.200  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -4.386   0.721   0.629  0.00  0.00    +0.070 C 
ATOM      9  C   LIG    1       -4.755  -0.531   1.469  0.00  0.00    +0.087 C 
ATOM     10  N   LIG    1       -3.694  -0.941   2.418  0.00  0.00    -0.312 NA
ATOM     11  H   LIG    1       -3.444  -0.133   2.987  0.00  0.00    +0.122 HD
ATOM     12  C   LIG    1       -2.462  -1.369   1.709  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.091  -0.342   0.698  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1       -0.873  -0.099   0.016  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1       -0.997   0.945  -0.838  0.00  0.00    -0.166 NA
ENDBRANCH   1  14
BRANCH   2  16
ATOM     16  C   LIG    1        2.787  -0.676  -0.420  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1        3.439   0.340   0.531  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1        2.812   1.133   1.230  0.00  0.00    -0.273 OA
ATOM     19  N   LIG    1        4.814   0.317   0.566  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1        5.234   1.000   1.183  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        5.633  -0.126  -0.441  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1        6.812   0.213  -0.493  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        5.016  -1.063  -1.452  0.00  0.00    +0.098 C 
ATOM     24  C   LIG    1        3.566  -0.696  -1.729  0.00  0.00    +0.041 C 
ENDBRANCH   2  16
TORSDOF 2