REMARK  Name = BDB029382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024   0.775  -0.490  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.950  -0.198  -0.330  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1       -0.669  -1.155  -0.500  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.142   1.986  -0.393  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.310  -0.012   0.004  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.109  -1.163   0.068  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -4.441  -1.009   0.395  0.00  0.00    +0.039 A 
ATOM      8  N   LIG    1       -5.405  -1.997   0.514  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -5.266  -2.986   0.374  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -6.639  -1.457   0.860  0.00  0.00    +0.222 C 
ATOM     11  C   LIG    1       -6.463   0.061   0.982  0.00  0.00    +0.133 C 
ATOM     12  O   LIG    1       -7.668  -2.089   1.032  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.008   0.232   0.661  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -4.241   1.377   0.606  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -2.884   1.247   0.276  0.00  0.00    +0.024 A 
ENDBRANCH   2   5
BRANCH   1  21
ATOM     16  C   LIG    1        6.180  -1.187   0.741  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        5.649  -0.258  -0.323  0.00  0.00    +0.212 C 
ATOM     18  N   LIG    1        4.263  -0.138  -0.430  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1        3.346  -1.140   0.108  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1        1.959  -0.573   0.395  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        1.395   0.176  -0.816  0.00  0.00    +0.078 C 
ATOM     22  C   LIG    1        2.387   1.262  -1.245  0.00  0.00    +0.032 C 
ATOM     23  C   LIG    1        3.759   0.671  -1.538  0.00  0.00    +0.108 C 
ATOM     24  O   LIG    1        6.432   0.362  -1.043  0.00  0.00    -0.276 OA
ENDBRANCH   1  21
TORSDOF 2