REMARK  Name = BDB049792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.481  -0.234  -0.030  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.101  -0.077   0.188  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.648   1.134   0.708  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.288   0.983   0.793  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -0.634   1.658   1.161  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1       -0.957  -0.281   0.364  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -3.492   2.198   1.040  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.863   2.012   0.827  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.043  -0.942   0.011  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -5.356   0.817   0.299  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.997  -2.094   0.102  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -6.123  -1.894   1.084  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -6.247  -3.021  -0.221  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.010  -1.474  -0.616  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -4.622  -1.913  -1.689  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  C   LIG    1        0.390  -0.827   0.332  0.00  0.00    +0.280 C 
ATOM     17  N   LIG    1        1.360   0.097  -0.036  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        1.050   0.915  -0.543  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        0.673  -1.990   0.602  0.00  0.00    -0.267 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.758  -0.300  -0.186  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        3.439  -0.452   1.178  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        4.923  -0.763   1.014  0.00  0.00    +0.082 C 
ATOM     23  N   LIG    1        5.593   0.257   0.207  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1        6.581   0.016   0.118  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        5.000   0.359  -1.125  0.00  0.00    +0.082 C 
ATOM     26  C   LIG    1        3.520   0.719  -1.039  0.00  0.00    +0.037 C 
ENDBRANCH  17  20
ENDBRANCH   6  16
TORSDOF 3