REMARK  Name = BDB005576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.418   0.237   0.377  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.283  -0.960   0.223  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.663  -0.946   0.004  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.374   0.259  -0.085  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.834   0.207  -0.338  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.541   1.394  -0.523  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.979   2.134  -0.935  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.909   1.375  -1.031  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.672   0.223  -0.389  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.939  -1.105  -0.612  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.454  -0.989  -0.396  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.694  -2.263  -0.277  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.247  -3.356  -0.343  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.661   1.453   0.095  0.00  0.00    +0.015 A 
ATOM     15  N   LIG    1       -2.343  -2.162  -0.108  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -1.843  -3.038  -0.030  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.277   1.443   0.320  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        1.760   0.089   0.588  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.536   1.279   0.723  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.002   0.895   0.926  0.00  0.00    +0.056 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.574   0.179  -0.308  0.00  0.00    +0.087 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.892   0.941  -0.138  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        5.993  -0.203  -0.246  0.00  0.00    -0.308 NA
ATOM     24  C   LIG    1        6.268  -1.190   0.793  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5