REMARK  Name = BDB012797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.260   0.406   0.220  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.526  -0.482  -0.785  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.113  -0.318  -0.462  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.851  -0.920  -1.250  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.517  -1.656  -2.181  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.051   0.372   0.808  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.336   0.358   1.440  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        6.926   1.750   0.190  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        5.920   0.675   0.473  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        4.617   0.969   0.247  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        3.686   0.014   0.490  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.034  -1.247   0.969  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        5.376  -1.535   1.198  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        6.335  -0.563   0.947  0.00  0.00    +0.023 A 
ENDBRANCH   1  11
BRANCH   4  15
ATOM     15  C   LIG    1       -2.251  -0.705  -0.973  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -3.196  -1.524  -1.536  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -3.022  -2.305  -2.160  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -4.461  -1.233  -1.193  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -4.343  -0.148  -0.421  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -2.985   0.225  -0.262  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.552   0.532   0.157  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -6.475   1.076  -0.935  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -6.322  -0.388   1.105  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 3