REMARK  Name = BDB036939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.719  -0.120   1.408  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1       -0.306   0.915   1.226  0.00  0.00    +0.094 C 
ATOM      3  C   LIG    1       -0.897   0.126   0.030  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.021  -1.034   0.493  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1        5.717   0.010  -1.006  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        4.630   0.094  -0.442  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1        4.236  -0.835   0.485  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1        4.875  -1.602   0.644  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        3.051  -0.896   1.186  0.00  0.00    +0.236 C 
ATOM     10  O   LIG    1        2.862  -1.838   1.954  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        2.071   0.282   0.970  0.00  0.00    +0.144 C 
ATOM     12  C   LIG    1        2.239   0.824  -0.459  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1        3.686   1.244  -0.680  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -2.468  -0.106  -0.044  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -3.205   0.232  -1.198  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.587   0.036  -1.282  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.279  -0.507  -0.206  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.589  -0.853   0.949  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.207  -0.654   1.024  0.00  0.00    +0.004 A 
ENDBRANCH   3  14
TORSDOF 2