REMARK  Name = BDB056514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.944  -0.454   0.311  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        1.384  -0.790  -0.172  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1        0.999  -1.584  -0.669  0.00  0.00    +0.155 HD
ATOM      4  C   LIG    1        0.484   0.018   0.504  0.00  0.00    +0.219 C 
ATOM      5  O   LIG    1        0.750   1.020   1.157  0.00  0.00    -0.275 OA
BRANCH   2   9
ATOM      6  C   LIG    1        5.596  -0.507  -0.462  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.883  -1.529  -1.098  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.490  -1.599  -0.984  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        2.786  -0.649  -0.235  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        3.500   0.370   0.398  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.896   0.443   0.287  0.00  0.00    +0.013 A 
BRANCH   6  13
ATOM     12  C   LIG    1        7.862   0.605   0.095  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1        7.081  -0.473  -0.611  0.00  0.00    +0.160 C 
ATOM     14  O   LIG    1        7.645  -1.317  -1.305  0.00  0.00    -0.292 OA
ENDBRANCH   6  13
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -1.898   0.265   1.261  0.00  0.00    +0.136 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.293  -0.119   1.024  0.00  0.00    -0.293 N 
ATOM     17  C   LIG    1       -4.110   0.596   0.097  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1       -5.436   0.193  -0.104  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1       -6.277   0.863  -1.004  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -5.795   1.953  -1.722  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.479   2.365  -1.541  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.953  -0.966   0.638  0.00  0.00    +0.262 A 
ATOM     23  O   LIG    1       -7.101  -1.371   0.493  0.00  0.00    -0.267 OA
ATOM     24  N   LIG    1       -5.073  -1.575   1.488  0.00  0.00    -0.274 N 
ATOM     25  H   LIG    1       -5.407  -2.390   1.980  0.00  0.00    +0.173 HD
ATOM     26  C   LIG    1       -3.642   1.693  -0.641  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -3.765  -1.243   1.690  0.00  0.00    +0.330 A 
ATOM     28  O   LIG    1       -3.069  -1.944   2.423  0.00  0.00    -0.246 OA
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5