REMARK  Name = BDB003045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.645   0.277  -0.193  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.931  -0.584   0.661  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -2.529  -0.571   0.651  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.812   0.287  -0.201  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -0.321   0.316  -0.261  0.00  0.00    +0.057 A 
ATOM      6  N   LIG    1        0.304   1.434  -0.788  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -0.502   2.574  -1.218  0.00  0.00    +0.131 C 
ATOM      8  C   LIG    1       -1.794   2.138  -1.901  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        1.694   1.552  -0.836  0.00  0.00    +0.351 A 
ATOM     10  O   LIG    1        2.231   2.586  -1.232  0.00  0.00    -0.244 OA
ATOM     11  N   LIG    1        2.454   0.488  -0.433  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        1.900  -0.589   0.022  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1        0.427  -0.721   0.136  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -2.540   1.176  -1.013  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -3.943   1.153  -1.024  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -6.768   1.021  -1.003  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -6.013   0.191  -0.132  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  O   LIG    1       -4.694  -1.402   1.460  0.00  0.00    -0.491 OA
ATOM     19  C   LIG    1       -4.024  -2.232   2.397  0.00  0.00    +0.277 C 
ENDBRANCH   2  18
BRANCH  12  20
ATOM     20  N   LIG    1        2.669  -1.664   0.423  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        2.203  -2.402   0.936  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.118  -1.694   0.537  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1        4.856  -1.384  -0.772  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1        5.757  -0.192  -0.463  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        6.008  -0.290   1.033  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        4.657  -0.719   1.587  0.00  0.00    +0.022 C 
ENDBRANCH  20  22
ENDBRANCH  12  20
TORSDOF 4