REMARK  Name = BDB005074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.606  -2.799   1.140  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.983  -1.515   0.584  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.356  -1.823  -0.083  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.542  -1.270   0.438  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.781  -1.534  -0.151  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.831  -2.358  -1.282  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        1.665  -2.911  -1.813  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.434  -2.645  -1.218  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        4.007  -1.014   0.317  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        4.825  -1.292  -0.212  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.216  -0.203   1.421  0.00  0.00    +0.222 C 
ATOM     12  O   LIG    1        3.362   0.173   2.216  0.00  0.00    -0.275 OA
BRANCH  11  13
ATOM     13  C   LIG    1        5.679   0.161   1.598  0.00  0.00    +0.101 C 
ATOM     14  C   LIG    1        6.248   0.939   0.407  0.00  0.00    +0.110 C 
ATOM     15  C   LIG    1        7.247   1.870   1.042  0.00  0.00    +0.214 C 
ATOM     16  O   LIG    1        8.055   2.565   0.453  0.00  0.00    -0.276 OA
ATOM     17  N   LIG    1        7.079   1.827   2.407  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1        7.552   2.508   2.990  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        5.900   1.102   2.774  0.00  0.00    +0.117 C 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  20
ATOM     20  N   LIG    1       -1.859  -0.900  -0.423  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -1.315  -0.291  -1.031  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.956  -0.148   0.053  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -3.838   0.444  -0.875  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -4.900   1.202  -0.345  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -5.786   1.813  -1.260  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -5.621   1.663  -2.651  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -4.582   0.903  -3.161  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1       -5.048   1.325   0.993  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -4.167   0.700   1.782  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -3.699   0.296  -2.279  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -3.130  -0.029   1.377  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1       -6.952   2.652  -0.837  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1       -7.697   3.176  -1.659  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -7.177   2.830   0.495  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -7.960   3.395   0.789  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -6.569   2.405   1.188  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6