REMARK  Name = BDB007731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.264  -3.204   2.250  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.531  -2.486   1.293  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -0.694  -1.488   0.844  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.805  -1.132  -0.099  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.787  -2.690   0.535  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -3.391  -1.683  -0.231  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -4.585  -1.931  -0.913  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -5.078  -3.240  -0.821  0.00  0.00    +0.133 A 
ATOM      9  N   LIG    1       -4.537  -4.236  -0.077  0.00  0.00    -0.261 NA
ATOM     10  C   LIG    1       -3.405  -3.931   0.597  0.00  0.00    +0.123 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.212  -1.010  -1.756  0.00  0.00    -0.339 N 
ATOM     12  H   LIG    1       -6.205  -1.219  -1.869  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -4.960   0.431  -1.632  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -5.647   1.038  -0.393  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -6.596   2.062  -0.869  0.00  0.00    -0.314 NA
ATOM     16  H   LIG    1       -6.114   2.962  -0.902  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -6.928   1.661  -2.239  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1       -5.615   1.161  -2.805  0.00  0.00    +0.038 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.621  -1.300   1.434  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.274  -0.009   0.914  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.315  -0.088  -0.524  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.940  -0.797  -0.758  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.692   0.162   1.512  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.230   1.536   1.445  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.532   1.636   2.136  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.709   1.096   1.350  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.660   1.008  -0.053  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.775   0.540  -0.760  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.939   0.181  -0.082  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.997   0.284   1.306  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.391   1.356  -0.793  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.889   0.743   2.019  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.370   2.089   0.089  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8