REMARK  Name = BDB036424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.407  -0.196  -0.697  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.713   1.123  -0.423  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.678   1.565   0.167  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.632   1.934  -0.993  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.695   1.077  -1.570  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.439   1.590  -2.194  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.597   2.990  -2.195  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.359   3.838  -1.604  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.495   3.309  -0.993  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.131  -0.342  -1.381  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.335  -0.611   2.342  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.377  -0.840   1.607  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.564  -1.103   0.275  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.515  -1.021  -0.053  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.612  -1.288  -0.699  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.933  -1.338  -1.887  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.155  -1.359  -0.235  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.024  -1.655   1.256  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.956  -0.821   2.117  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.486   0.696  -2.798  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.413   0.277  -1.775  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        3.114   0.938  -1.464  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.429  -1.004  -1.274  0.00  0.00    +0.246 C 
ATOM     24  O   LIG    1        1.742  -1.922  -1.700  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.356  -1.219  -0.145  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1        3.437  -0.318   0.932  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        4.329  -0.512   1.989  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.159   0.578   2.886  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        3.165   1.385   2.385  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1        5.158  -1.652   1.979  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1        5.059  -2.572   0.928  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1        2.719   0.826   1.217  0.00  0.00    -0.360 N 
ATOM     33  H   LIG    1        1.965   1.189   0.647  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1        4.164  -2.362  -0.118  0.00  0.00    +0.015 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4