REMARK  Name = BDB024710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.491  -3.470   0.561  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.376  -2.078   0.722  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.592  -1.246   0.603  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.855  -0.864  -0.859  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        5.554  -0.039   1.534  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        4.353   0.827   1.233  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        3.095   0.008   1.169  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.849   0.657   1.336  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        1.592   1.988   1.569  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.280   2.104   1.655  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.323   0.877   1.474  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.666  -0.061   1.274  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.642  -1.432   1.042  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.880  -2.069   0.864  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.112  -1.392   0.921  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        3.604  -4.305   0.701  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.942  -5.255   0.045  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        5.763  -3.849   0.219  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.747   0.588   1.489  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.331   0.497   0.071  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.794   0.305   0.086  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -4.398   0.664  -1.220  0.00  0.00    +0.115 C 
ATOM     23  C   LIG    1       -4.129  -0.366  -2.340  0.00  0.00    +0.130 C 
ATOM     24  C   LIG    1       -4.862   0.019  -3.618  0.00  0.00    +0.039 C 
ATOM     25  O   LIG    1       -4.594  -1.668  -1.948  0.00  0.00    -0.371 OA
ATOM     26  C   LIG    1       -3.956  -2.100  -0.736  0.00  0.00    +0.130 C 
ATOM     27  C   LIG    1       -4.527  -3.466  -0.377  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1       -4.197  -1.085   0.406  0.00  0.00    +0.115 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  29
ATOM     29  C   LIG    1       -0.445   3.390   1.919  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.162   3.947   0.709  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1       -2.538   4.214   0.753  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.196   4.727  -0.366  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.487   4.986  -1.537  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.117   4.737  -1.590  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -0.457   4.224  -0.473  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6