REMARK  Name = BDB000989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559  -0.327   0.528  0.00  0.00    +0.132 A 
ATOM      2  N   LIG    1        0.355   0.478  -0.106  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.200   1.401  -0.497  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.557  -0.184  -0.158  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.308  -1.394   0.470  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.344  -2.332   0.582  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.599  -2.015   0.044  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.824  -0.784  -0.584  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.802   0.175  -0.692  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.006  -1.464   0.899  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.066   1.033   1.975  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -1.982   0.092   0.768  0.00  0.00    +0.090 C 
ATOM     13  N   LIG    1       -2.774  -1.089   1.000  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -2.429  -1.903   1.497  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1       -4.014  -1.043   0.410  0.00  0.00    +0.214 C 
ATOM     16  O   LIG    1       -4.877  -1.898   0.495  0.00  0.00    -0.276 OA
ATOM     17  C   LIG    1       -4.126   0.265  -0.329  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1       -2.662   0.689  -0.469  0.00  0.00    +0.042 C 
ENDBRANCH   1  12
BRANCH   9  19
ATOM     19  C   LIG    1        2.954   1.505  -1.334  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        1.980   2.229  -1.521  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        4.207   1.918  -1.685  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        4.289   2.862  -2.041  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        5.054   1.460  -1.386  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 2