REMARK  Name = BDB047612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.994   3.298   0.184  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.842   2.913   0.160  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1       -1.403   1.522   0.084  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -2.117   0.355   0.030  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1       -3.595   0.144   0.006  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.687  -1.348   0.359  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1       -2.401  -2.006  -0.160  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.428  -0.863  -0.060  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -0.024  -0.862  -0.083  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        0.727   0.325  -0.015  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        2.110  -0.050  -0.059  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        2.161  -1.443  -0.155  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        3.363  -2.160  -0.221  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.556  -1.434  -0.187  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.543  -0.047  -0.093  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.333   0.653  -0.028  0.00  0.00    +0.010 A 
ATOM     17  N   LIG    1        0.866  -1.902  -0.171  0.00  0.00    -0.354 N 
ATOM     18  H   LIG    1        0.608  -2.876  -0.234  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -0.011   1.517   0.068  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        0.422   2.911   0.140  0.00  0.00    +0.260 A 
ATOM     21  O   LIG    1        1.561   3.330   0.148  0.00  0.00    -0.267 OA
ATOM     22  N   LIG    1       -0.712   3.666   0.194  0.00  0.00    -0.289 N 
ATOM     23  H   LIG    1       -0.709   4.672   0.244  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0