REMARK  Name = BDB056525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.780   2.121   0.010  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        2.907   1.599   0.075  0.00  0.00    +0.147 HD
ATOM      3  H   LIG    1        3.752   3.130   0.011  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1        4.986   1.487   0.010  0.00  0.00    +0.317 C 
ATOM      5  N   LIG    1        4.893   0.080   0.060  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1        3.748  -0.713   0.097  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1        4.138  -2.049   0.155  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        3.130  -3.020   0.205  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.804  -2.584   0.196  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        1.518  -1.218   0.137  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        5.553  -2.079   0.144  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1        2.472  -0.255   0.081  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1        5.989  -0.776   0.084  0.00  0.00    +0.098 A 
ATOM     14  O   LIG    1        6.074   2.041  -0.023  0.00  0.00    -0.249 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        0.130  -0.715   0.121  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.871  -1.268   0.937  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -2.184  -0.780   0.910  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -2.546   0.282   0.069  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -1.549   0.842  -0.741  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -0.237   0.354  -0.714  0.00  0.00    +0.010 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.926   0.795   0.043  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.196   2.159   0.244  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -5.505   2.647   0.220  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.569   1.777  -0.008  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.324   0.422  -0.211  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.014  -0.064  -0.185  0.00  0.00    +0.008 A 
ENDBRANCH  18  21
ENDBRANCH  10  15
TORSDOF 2