REMARK  Name = BDB024725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.590  -2.881   1.337  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.245  -1.536   1.113  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.326  -0.533   1.012  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.853  -0.438  -0.426  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.909   0.819   1.581  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.695   1.350   0.854  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.613   0.311   0.773  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.282   0.729   0.538  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.793   2.003   0.367  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.505   1.880   0.182  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.874   0.553   0.225  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.257  -0.200   0.448  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.482  -1.567   0.569  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.806  -1.976   0.788  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.884  -1.079   0.896  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        3.823  -3.819   1.520  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.359  -4.422   1.569  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.947  -3.073   1.343  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.215   0.018   0.060  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.500  -0.360  -1.401  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.889  -0.800  -1.628  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -4.175  -0.975  -3.072  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1       -4.097  -2.436  -3.540  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1       -5.014  -3.299  -2.853  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1       -5.351  -2.831  -1.541  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1       -4.208  -2.042  -0.886  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  27
ATOM     27  C   LIG    1       -1.448   3.019  -0.046  0.00  0.00    +0.075 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.993   3.560   1.276  0.00  0.00    +0.011 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.033   4.641   1.172  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1       -3.280   5.461  -0.071  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -4.294   4.439   0.369  0.00  0.00    +0.004 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 7