REMARK  Name = BDB024554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.610  -0.268  -1.355  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.813   0.530  -0.516  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.323   1.885  -0.216  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.535   1.832   0.729  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.290   2.847   0.393  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -1.925   2.627  -0.223  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.529   1.208   0.066  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.218   0.861   0.458  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.867   1.683   0.633  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.869   0.898   0.979  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1        1.444  -0.412   1.083  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1        0.114  -0.466   0.718  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.827  -1.492   0.589  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -2.123  -1.141   0.185  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.486   0.182  -0.094  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -5.747   0.042  -1.705  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.321  -1.527   1.504  0.00  0.00    +0.116 C 
ATOM     18  C   LIG    1        2.365  -2.720   0.544  0.00  0.00    +0.107 C 
ATOM     19  N   LIG    1        2.206  -3.628   1.702  0.00  0.00    -0.312 NA
ATOM     20  H   LIG    1        3.088  -4.028   2.024  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        1.732  -2.499   2.532  0.00  0.00    +0.107 C 
ENDBRANCH  11  17
BRANCH   1  23
ATOM     22  C   LIG    1       -4.781  -2.175  -2.719  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1       -3.995  -1.393  -1.819  0.00  0.00    -0.453 OA
ENDBRANCH   1  23
BRANCH  10  24
ATOM     24  C   LIG    1        3.273   1.371   1.208  0.00  0.00    +0.109 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.249   0.932   0.137  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        3.969   1.142  -1.222  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.876   0.741  -2.204  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.077   0.137  -1.841  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.376  -0.061  -0.494  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.471   0.339   0.490  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 4