REMARK  Name = BDB024519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.644   1.761  -0.421  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.911   0.619  -0.051  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.609  -0.673   0.160  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.475  -0.640   1.433  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.690  -1.900   0.268  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.538  -1.793  -0.705  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.769  -0.554  -0.354  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.359  -0.525  -0.371  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.479  -1.538  -0.657  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.728  -1.023  -0.549  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.663   0.308  -0.177  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.675   0.645  -0.072  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.344   1.829   0.248  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.745   1.796   0.253  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.471   0.633  -0.045  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.185   2.872  -0.667  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.769   1.233   0.072  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.663   0.806   1.244  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.709   1.872   1.583  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.348   2.542   0.351  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -4.062   1.784  -0.948  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.565   1.573  -1.203  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.893   3.987   0.206  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -2.789   4.399   0.528  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.822   4.786  -0.364  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.658   4.340  -0.597  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.771   2.626  -0.936  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.983   1.505  -0.534  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.971  -1.812  -0.800  0.00  0.00    +0.084 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.181  -2.855   0.295  0.00  0.00    +0.106 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.492  -3.520   0.132  0.00  0.00    +0.228 A 
ATOM     32  O   LIG    1       -3.485  -4.809  -0.314  0.00  0.00    -0.338 OA
ATOM     33  N   LIG    1       -4.821  -5.206  -0.391  0.00  0.00    -0.062 NA
ATOM     34  C   LIG    1       -5.487  -4.118   0.016  0.00  0.00    +0.169 A 
ATOM     35  C   LIG    1       -6.958  -4.081   0.100  0.00  0.00    +0.091 C 
ATOM     36  N   LIG    1       -4.699  -3.044   0.344  0.00  0.00    -0.196 NA
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7