REMARK  Name = BDB054203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.410   0.659   0.128  0.00  0.00    -0.340 N 
ATOM      2  C   LIG    1        0.599  -0.260   0.180  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        2.042  -0.341   0.262  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.370  -1.720   0.227  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.113  -2.522   0.126  0.00  0.00    +0.196 C 
ATOM      6  O   LIG    1        1.037  -3.734   0.073  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1        3.669  -2.191   0.288  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.683  -1.240   0.391  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.376   0.134   0.434  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.051   0.593   0.372  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        0.057  -1.531   0.108  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1       -1.331  -1.422   0.040  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -2.388  -2.418  -0.053  0.00  0.00    +0.166 C 
ATOM     14  C   LIG    1       -3.803  -1.871  -0.214  0.00  0.00    +0.080 C 
ATOM     15  C   LIG    1       -3.997  -0.541   0.522  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -2.985   0.527   0.083  0.00  0.00    +0.054 C 
ATOM     17  O   LIG    1       -2.172  -3.626  -0.065  0.00  0.00    -0.292 OA
ATOM     18  C   LIG    1       -1.606  -0.056   0.090  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1        0.434   2.636  -1.135  0.00  0.00    +0.030 C 
ATOM     20  C   LIG    1       -0.317   2.118   0.091  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1        0.185   2.705   1.408  0.00  0.00    +0.030 C 
ENDBRANCH   1  20
TORSDOF 1