REMARK  Name = BDB011643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.683  -0.964  -2.397  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.211  -0.605  -1.409  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.170  -0.451  -0.479  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.368  -1.478  -3.465  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.578  -0.644  -1.432  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.326  -0.535  -0.143  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -1.775  -0.288   0.919  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.681  -0.691  -0.429  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.824  -0.733  -1.849  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.797  -1.721  -2.330  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.522  -0.721  -2.384  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.342  -0.712  -3.869  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.730  -0.041   0.359  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.651   1.497   0.289  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -5.309   2.195   1.482  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -6.454   1.376   2.063  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -5.984   0.007   2.560  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -4.758  -0.527   1.813  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        2.007   1.505  -0.642  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.669   0.321  -1.243  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.013  -0.004  -1.183  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1        4.229  -1.121  -1.924  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        3.045  -1.574  -2.452  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        2.090  -0.731  -2.027  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.213   0.625  -0.542  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1        4.735   1.245   0.662  0.00  0.00    -0.369 OA
ATOM     27  C   LIG    1        5.677   1.255   1.728  0.00  0.00    +0.164 C 
ATOM     28  C   LIG    1        5.962  -0.175   2.197  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        7.149  -0.194   3.158  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        6.173  -1.129   1.010  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1        6.369  -0.360  -0.292  0.00  0.00    +0.040 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4