REMARK  Name = BDB046087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.537  -0.235  -0.591  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.611   0.088   0.121  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -0.716   1.011   1.290  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -2.027   1.790   1.282  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -3.173   0.982   1.652  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -3.789   1.346   2.369  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.759  -0.041   0.952  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -3.099  -0.694  -0.207  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.899  -1.496  -1.047  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.355  -2.180  -2.132  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.992  -2.099  -2.411  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -1.202  -1.308  -1.569  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -4.875  -0.417   1.311  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -1.715  -0.601  -0.480  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1        0.151  -1.072  -1.610  0.00  0.00    -0.354 N 
ATOM     16  H   LIG    1        0.782  -1.480  -2.285  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        3.902   0.301   1.029  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        2.559  -0.037   0.838  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        1.932   0.154  -0.402  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.657   0.730  -1.450  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        3.979   1.127  -1.252  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.589   0.931  -0.011  0.00  0.00    +0.023 A 
BRANCH  17  23
ATOM     23  N   LIG    1        4.478   0.215   2.302  0.00  0.00    -0.358 N 
ATOM     24  H   LIG    1        4.067  -0.506   2.889  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1        5.492   0.172   2.293  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 2