REMARK  Name = BDB018289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.808  -1.728  -0.107  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -0.559  -1.864  -0.680  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.183  -3.058  -0.600  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1       -0.633  -4.157   0.029  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.406  -5.385   0.100  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        0.580  -4.080   0.692  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1        1.089  -4.990   1.341  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.296  -2.788   0.572  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        3.233   1.121   0.007  0.00  0.00    +0.025 C 
ATOM     10  C   LIG    1        2.780  -0.245   0.521  0.00  0.00    +0.110 C 
ATOM     11  N   LIG    1        1.568  -0.550  -0.263  0.00  0.00    -0.329 N 
ATOM     12  C   LIG    1        1.532   0.322  -1.450  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1        2.894   1.012  -1.473  0.00  0.00    +0.025 C 
BRANCH   9  14
ATOM     14  C   LIG    1        4.706   1.402   0.260  0.00  0.00    +0.109 C 
BRANCH  14  17
ATOM     15  C   LIG    1        6.415   1.816   3.608  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1        6.260   1.430   2.162  0.00  0.00    +0.210 C 
ATOM     17  N   LIG    1        4.982   1.594   1.671  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1        4.367   2.207   2.192  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        7.200   1.018   1.492  0.00  0.00    -0.276 OA
ENDBRANCH  14  17
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  C   LIG    1       -1.292  -0.769  -1.239  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -1.840   0.282  -0.541  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1       -2.489   1.050  -1.468  0.00  0.00    -0.267 N 
ATOM     23  N   LIG    1       -2.376   0.574  -2.730  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -1.669  -0.551  -2.579  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.205   2.294  -1.218  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.553   2.045  -0.589  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1       -4.795   2.391   0.749  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.045   2.157   1.325  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.064   1.576   0.572  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.836   1.228  -0.757  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.588   1.460  -1.336  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   2  20
TORSDOF 6