REMARK  Name = BDB024607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.442   0.040  -0.653  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.341   0.814  -1.067  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.693   2.164  -1.545  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.106   3.070  -0.373  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.599   2.811  -2.390  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.294   2.830  -1.623  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.942   1.435  -1.193  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.581   1.085  -1.024  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.526   1.880  -1.163  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.568   1.113  -0.913  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.167  -0.182  -0.618  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.214  -0.211  -0.690  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.171  -1.209  -0.522  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.521  -0.850  -0.670  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.943   0.458  -0.953  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.605   0.322  -0.939  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.061  -1.299  -0.331  0.00  0.00    +0.094 C 
ATOM     18  C   LIG    1       -1.759  -2.055   0.986  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -1.860  -3.547   0.642  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -3.271  -3.959   1.076  0.00  0.00    +0.084 C 
ATOM     21  N   LIG    1       -3.922  -2.727   1.523  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -4.604  -2.922   2.256  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -1.590  -3.643  -0.853  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -2.848  -1.874   2.032  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -2.111  -2.347  -1.453  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        6.272  -1.746   0.627  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        5.141  -1.010   0.160  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.990   1.595  -0.962  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.606   1.834   0.401  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -2.956   2.632   1.354  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.537   2.864   2.602  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.778   2.310   2.908  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.441   1.527   1.965  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.862   1.294   0.716  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4