REMARK  Name = BDB046830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.997   0.097   2.811  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -5.253   1.776  -0.718  0.00  0.00    +0.046 C 
ATOM      3  C   LIG    1       -5.413   0.283  -0.648  0.00  0.00    -0.024 A 
ATOM      4  C   LIG    1       -4.642  -0.476   0.251  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -4.822  -1.865   0.283  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -4.002  -2.638   1.230  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -3.129  -1.908   1.993  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -2.561  -2.438   2.638  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1       -3.017  -0.549   1.904  0.00  0.00    +0.110 A 
ATOM     10  O   LIG    1       -4.093  -3.856   1.335  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.744  -2.506  -0.550  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -6.504  -1.748  -1.437  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -3.714   0.173   1.089  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -6.340  -0.362  -1.485  0.00  0.00    +0.005 A 
ENDBRANCH   1   9
BRANCH   1  15
ATOM     15  C   LIG    1       -0.564  -0.175   2.355  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.242   0.495   1.011  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.118   0.185   0.539  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.283   0.617  -0.860  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        2.637   0.162  -1.433  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        3.780   0.434  -0.489  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        3.535   0.750   0.795  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        2.153   0.807   1.383  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.159   0.375  -1.007  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        6.114  -0.444  -0.388  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.421  -0.511  -0.877  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        7.788   0.241  -1.990  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.849   1.059  -2.615  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.541   1.125  -2.127  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5