REMARK  Name = BDB003903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.501   0.586  -0.518  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -2.071   1.809  -0.840  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1       -1.522   2.869  -1.097  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.570   1.624  -0.913  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1       -3.827   0.261  -0.247  0.00  0.00    +0.072 C 
ATOM      6  C   LIG    1       -4.103   0.466   1.246  0.00  0.00    +0.227 C 
ATOM      7  O   LIG    1       -3.638   1.411   1.879  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -4.768  -0.525   1.908  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -4.548  -0.370   2.891  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -6.134  -0.450   1.909  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.732  -0.240   2.963  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.875  -0.740   0.624  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -6.341  -0.045  -0.620  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.935  -0.522  -0.970  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -2.485  -0.461  -0.393  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        2.542  -0.450  -0.195  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        1.500  -1.360  -0.117  0.00  0.00    +0.128 A 
ATOM     18  N   LIG    1        0.187  -1.025  -0.222  0.00  0.00    -0.239 NA
ATOM     19  C   LIG    1       -0.129   0.280  -0.416  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1        0.862   1.254  -0.501  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        2.207   0.887  -0.391  0.00  0.00    +0.020 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.928  -0.948  -0.064  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1        4.195  -2.126   0.101  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.801   0.081  -0.157  0.00  0.00    -0.455 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.859   1.246  -0.209  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        6.231  -0.147  -0.058  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        6.731  -1.038  -1.200  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.609  -0.710   1.316  0.00  0.00    +0.055 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 4