REMARK  Name = BDB024721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.383   1.502   1.738  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.876   0.717   0.694  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.790   0.489  -0.436  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -4.566   1.517  -1.550  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.713  -0.956  -0.916  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -3.308  -1.305  -1.358  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.268  -0.826  -0.382  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.955  -1.346  -0.466  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.461  -2.301  -1.324  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.807  -2.437  -1.009  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.158  -1.604   0.025  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.041  -0.888   0.386  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -0.192   0.103   1.334  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.492   0.621   1.409  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.546   0.167   0.596  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -5.414   2.166   1.646  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        1.746  -3.445  -1.734  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1        1.513  -3.735  -3.194  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        2.708  -2.931  -2.774  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
BRANCH   1  21
ATOM     20  C   LIG    1       -4.243   2.156   3.990  0.00  0.00    +0.282 C 
ATOM     21  O   LIG    1       -3.687   1.410   2.907  0.00  0.00    -0.453 OA
ENDBRANCH   1  21
BRANCH  11  22
ATOM     22  C   LIG    1        2.468  -1.536   0.644  0.00  0.00    +0.139 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.376  -0.454   0.033  0.00  0.00    +0.106 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.224   0.883   0.637  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1        3.860   1.938  -0.186  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        5.261   2.336   0.304  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        5.274   2.828   1.651  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        4.176   2.345   2.437  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        3.742   0.930   2.025  0.00  0.00    +0.112 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 5