REMARK  Name = BDB055740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.364  -3.182  -0.123  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.468  -2.348  -0.165  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.658  -0.954   0.324  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.552  -0.091   0.440  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -3.773   1.269   0.709  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.608   2.219   0.671  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1       -1.500   1.665  -0.236  0.00  0.00    +0.090 C 
ATOM      8  N   LIG    1       -1.068   0.357   0.264  0.00  0.00    -0.285 NA
ATOM      9  C   LIG    1       -5.069   1.725   0.983  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.151   0.844   0.937  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.145  -0.656   0.258  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.220  -1.639  -0.935  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1       -5.950  -0.492   0.589  0.00  0.00    +0.013 A 
ATOM     14  N   LIG    1       -3.240  -2.649  -0.707  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.178  -3.560  -1.146  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1        0.206  -0.101  -0.311  0.00  0.00    +0.181 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.421   0.726   0.163  0.00  0.00    +0.230 C 
ATOM     18  N   LIG    1        2.643   0.360  -0.377  0.00  0.00    -0.296 N 
ATOM     19  C   LIG    1        3.883   0.966   0.109  0.00  0.00    +0.094 C 
ATOM     20  C   LIG    1        5.002   0.362  -0.759  0.00  0.00    +0.026 C 
ATOM     21  C   LIG    1        5.845  -0.479   0.201  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1        4.984  -0.728   1.352  0.00  0.00    -0.314 NA
ATOM     23  H   LIG    1        5.534  -0.940   2.183  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        4.270  -0.448  -1.834  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        4.246   0.531   1.537  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        2.921  -0.780  -1.224  0.00  0.00    +0.108 C 
ATOM     27  O   LIG    1        1.342   1.656   0.968  0.00  0.00    -0.274 OA
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 2