REMARK  Name = BDB049923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.057   0.231  -0.851  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.038  -0.206   0.009  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.911  -0.313   1.007  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.170  -0.475  -0.714  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.826  -0.130  -2.015  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.787  -0.233  -3.034  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.077  -0.669  -2.707  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.401  -1.014  -1.393  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.443  -0.944  -0.368  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.518   0.283  -2.086  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.809  -1.338   1.008  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.948  -1.214   1.435  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.821  -1.906   1.768  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.154  -2.323   2.630  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.065  -2.394   1.306  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1       -1.331   0.613  -0.342  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1       -1.256   2.086   0.093  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -2.327   0.482  -1.515  0.00  0.00    +0.036 C 
BRANCH  16  19
ATOM     19  N   LIG    1       -1.660  -0.364   0.723  0.00  0.00    -0.303 NA
ATOM     20  H   LIG    1       -1.921  -1.235   0.255  0.00  0.00    +0.123 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -4.045   0.288   1.301  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -2.646  -0.097   1.774  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -2.137   0.842   2.869  0.00  0.00    +0.023 C 
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 4