REMARK  Name = BDB036877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413  -0.069  -1.110  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -0.637   0.116  -0.205  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.490  -0.046   1.241  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1        0.240  -0.253  -2.313  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.999   0.101  -0.767  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -2.616  -1.310  -0.759  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.001  -2.341  -0.497  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.960  -1.362  -1.057  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.360  -2.291  -1.032  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.862  -0.348  -0.859  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.064  -0.577  -0.773  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.298   1.052  -0.776  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.955   1.062  -0.060  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1        5.812   0.314   0.723  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1        4.400   0.186   0.234  0.00  0.00    +0.038 A 
ATOM     16  N   LIG    1        3.548   1.203   0.518  0.00  0.00    -0.259 NA
ATOM     17  C   LIG    1        2.276   1.089   0.066  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        1.804  -0.011  -0.631  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        2.695  -1.037  -0.934  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        4.012  -0.941  -0.490  0.00  0.00    +0.024 A 
ENDBRANCH   1  18
TORSDOF 2