REMARK  Name = BDB050419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.507   1.137  -0.489  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -1.071  -0.184  -0.484  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        0.299  -0.470  -0.565  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.265   0.542  -0.673  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.787   1.863  -0.693  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.578   2.163  -0.612  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.617   0.277  -0.737  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        3.248  -1.028  -0.480  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        4.696  -0.852  -0.970  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1        4.563   0.187  -2.069  0.00  0.00    +0.021 C 
ATOM     11  C   LIG    1        3.512   1.143  -1.514  0.00  0.00    +0.105 C 
BRANCH   8  12
ATOM     12  C   LIG    1        3.160  -1.481   0.975  0.00  0.00    +0.142 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.534  -0.422   1.977  0.00  0.00    +0.306 C 
ATOM     14  O   LIG    1        4.513   0.305   1.965  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        2.681  -0.382   3.023  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1        3.025   0.351   3.574  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1       -2.833   1.501  -0.442  0.00  0.00    -0.456 OA
BRANCH  17  20
ATOM     18  C   LIG    1       -5.175   0.371  -1.554  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.834   0.245  -0.097  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1       -3.652   0.799   0.416  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1       -3.352   0.704   1.780  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.214   0.020   2.635  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.380  -0.556   2.132  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.691  -0.442   0.775  0.00  0.00    +0.007 A 
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6