REMARK  Name = BDB008904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.621   1.191  -2.401  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1       -4.068  -3.750  -2.491  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -3.544  -2.643  -2.418  0.00  0.00    +0.268 A 
ATOM      4  C   LIG    1       -3.670  -1.796  -1.206  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -4.508  -2.349  -0.086  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1       -4.882  -1.293   0.956  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -3.681  -0.421   1.302  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -3.131   0.287   0.060  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -3.062  -0.598  -1.153  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -2.307  -0.173  -2.374  0.00  0.00    +0.069 A 
ATOM     11  N   LIG    1       -2.197  -0.901  -3.447  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1       -2.808  -2.115  -3.443  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1       -2.713  -2.676  -4.283  0.00  0.00    +0.192 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.275   1.212  -1.714  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        0.695   0.238  -1.990  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        1.941   0.274  -1.358  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        2.248   1.289  -0.443  0.00  0.00    -0.033 A 
ATOM     18  C   LIG    1        1.288   2.278  -0.189  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        0.043   2.243  -0.821  0.00  0.00    +0.004 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.603   1.337   0.232  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.515   1.392   1.703  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        4.838   1.607   2.306  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1        5.478   0.232   2.422  0.00  0.00    +0.017 C 
ATOM     24  C   LIG    1        4.314  -0.749   2.415  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1        3.068   0.116   2.284  0.00  0.00    +0.085 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  14
TORSDOF 4