REMARK  Name = BDB043209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.139  -0.765   0.113  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.523  -1.928   0.021  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.861  -1.918   0.130  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.530  -0.737   0.387  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.788   0.422   0.492  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -0.459   0.402   0.352  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.560  -3.123   0.029  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -3.809  -3.137  -0.758  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.857  -4.319  -1.756  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.591  -5.656  -1.189  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.821  -6.337  -0.795  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.645  -5.585  -0.052  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.733  -4.339  -0.068  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.521  -0.865  -0.036  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        1.755  -1.826  -0.230  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        4.722   1.893  -0.274  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        4.953   0.515  -0.287  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        3.874  -0.376  -0.215  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.547   0.080  -0.146  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.337   1.464  -0.139  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.409   2.363  -0.213  0.00  0.00    +0.015 A 
BRANCH  16  25
ATOM     22  C   LIG    1        8.143   3.407   0.270  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        7.045   2.478   0.174  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        7.061   1.669   0.779  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        5.831   2.885  -0.344  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.636   4.003  -0.808  0.00  0.00    -0.270 OA
ENDBRANCH  16  25
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  N   LIG    1       -2.479   1.631   0.750  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1       -3.126   1.500   1.516  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -2.035   2.890   0.524  0.00  0.00    +0.146 A 
ATOM     30  N   LIG    1       -1.168   3.291  -0.408  0.00  0.00    -0.158 NA
ATOM     31  N   LIG    1       -1.063   4.613  -0.232  0.00  0.00    -0.280 N 
ATOM     32  H   LIG    1       -0.422   5.123  -0.831  0.00  0.00    +0.189 HD
ATOM     33  C   LIG    1       -1.871   5.101   0.755  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1       -1.925   6.537   1.100  0.00  0.00    +0.065 C 
ATOM     35  C   LIG    1       -2.525   3.998   1.260  0.00  0.00    +0.068 A 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 6