REMARK  Name = BDB031627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.413   1.968   0.487  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1       -1.879   0.837  -0.157  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -1.315   0.003  -0.008  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.652   3.108   0.100  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.507   0.938  -1.472  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.607  -0.487  -2.033  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.613  -1.193  -2.206  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.864  -1.009  -2.193  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -3.885  -1.972  -2.505  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.960  -0.643  -1.455  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.894  -1.422  -1.288  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.909   0.710  -0.789  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.881   1.609  -1.457  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -0.622   1.690   1.755  0.00  0.00    +0.130 C 
BRANCH  14  18
ATOM     15  C   LIG    1        2.997  -0.576   1.016  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.852   0.716   0.512  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        1.684   1.448   0.757  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        0.640   0.899   1.510  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1        0.787  -0.395   2.021  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        1.954  -1.124   1.774  0.00  0.00    +0.023 A 
BRANCH  15  23
ATOM     21  C   LIG    1        6.284  -2.184   0.100  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1        5.280  -1.058   0.103  0.00  0.00    +0.214 C 
ATOM     23  N   LIG    1        4.137  -1.380   0.814  0.00  0.00    -0.286 N 
ATOM     24  H   LIG    1        4.108  -2.301   1.232  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        5.508  -0.014  -0.498  0.00  0.00    -0.276 OA
ENDBRANCH  15  23
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 4