REMARK  Name = BDB007609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.623  -0.319  -1.470  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.575  -0.995  -1.522  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.576  -1.998  -1.369  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.792   0.791  -1.962  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.164  -1.312  -0.561  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -3.057  -0.703  -1.169  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.746  -1.022  -0.791  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.526  -1.963   0.219  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.613  -2.591   0.824  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.916  -2.272   0.430  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -5.449  -0.965  -0.990  0.00  0.00    -0.329 N 
ATOM     12  C   LIG    1       -6.349  -2.098  -1.227  0.00  0.00    +0.129 C 
BRANCH  11  16
ATOM     13  C   LIG    1       -5.206   3.481   1.062  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -5.973   2.303   0.682  0.00  0.00    -0.304 NA
ATOM     15  C   LIG    1       -5.312   1.534  -0.387  0.00  0.00    +0.106 C 
ATOM     16  C   LIG    1       -6.101   0.217  -0.372  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1       -6.504   0.038   1.097  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1       -6.101   1.342   1.781  0.00  0.00    +0.086 C 
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        1.684  -0.505  -2.322  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.022  -1.094  -1.862  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.915  -2.527  -1.788  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        3.644  -2.790  -1.188  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.456  -0.551  -0.482  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.651  -1.271   0.027  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.901  -0.848  -0.641  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.433   0.503  -0.215  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.080   1.059   1.029  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.614   2.296   1.415  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.510   2.967   0.583  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.876   2.410  -0.640  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.081   0.362   1.917  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.344   1.183  -1.036  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.814  -1.088   1.483  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8