REMARK  Name = BDB046831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.465   1.328   0.167  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.916   0.862  -0.037  0.00  0.00    -0.296 NA
ATOM      3  C   LIG    1        1.171  -0.320   0.827  0.00  0.00    +0.137 C 
ATOM      4  C   LIG    1        2.615  -0.681   0.792  0.00  0.00    +0.034 A 
ATOM      5  N   LIG    1        3.148  -1.875   1.186  0.00  0.00    -0.357 N 
ATOM      6  H   LIG    1        2.628  -2.671   1.528  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        4.521  -1.840   1.047  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        4.859  -0.581   0.541  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        6.216  -0.291   0.299  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        7.185  -1.262   0.573  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.820  -2.508   1.080  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.480  -2.821   1.326  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        3.645   0.138   0.386  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        3.366   1.506  -0.127  0.00  0.00    +0.053 C 
ATOM     15  C   LIG    1        1.916   1.931   0.231  0.00  0.00    +0.089 C 
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.945   2.218  -0.990  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.395   2.669  -0.810  0.00  0.00    +0.075 C 
BRANCH  17  26
ATOM     18  O   LIG    1       -4.581  -0.510  -3.520  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1       -4.409  -0.062  -2.393  0.00  0.00    +0.259 A 
ATOM     20  C   LIG    1       -5.091  -0.618  -1.212  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1       -4.821  -0.025   0.025  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1       -5.455  -0.533   1.160  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -6.340  -1.612   1.058  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -6.598  -2.194  -0.184  0.00  0.00    +0.001 A 
ATOM     25  N   LIG    1       -3.938   1.059   0.167  0.00  0.00    -0.234 NA
ATOM     26  C   LIG    1       -3.365   1.515  -0.899  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -5.973  -1.697  -1.327  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1       -3.568   0.993  -2.147  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1       -3.094   1.371  -2.955  0.00  0.00    +0.170 HD
ENDBRANCH  17  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4