REMARK  Name = BDB016973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.537   0.047  -0.071  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.924   1.329  -0.313  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        3.223   1.641  -0.120  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        4.177   0.728   0.282  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        3.759  -0.583   0.503  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        2.422  -0.936   0.344  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.004  -0.112  -0.695  0.00  0.00    -0.336 N 
ATOM      8  C   LIG    1       -0.856   0.626  -0.627  0.00  0.00    +0.117 A 
ATOM      9  C   LIG    1        0.131  -0.272  -0.277  0.00  0.00    +0.107 A 
ATOM     10  N   LIG    1       -0.402  -1.540  -0.150  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1       -1.683  -1.408  -0.412  0.00  0.00    +0.200 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -3.317   0.384  -1.046  0.00  0.00    +0.122 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -4.390   0.239   1.258  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -4.012   1.137   0.088  0.00  0.00    +0.018 C 
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  15
ATOM     15  C   LIG    1        4.717  -1.614   0.944  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        4.503  -2.375   1.869  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.838  -1.631   0.193  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        5.793  -1.091  -0.619  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 5