REMARK  Name = BDB059720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314   0.015  -0.119  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1        0.513  -1.297   0.569  0.00  0.00    +0.265 A 
ATOM      3  O   LIG    1       -0.374  -1.823   1.240  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1        1.728  -1.913   0.441  0.00  0.00    -0.320 N 
ATOM      5  H   LIG    1        1.831  -2.800   0.917  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.789  -1.374  -0.291  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1        2.631  -0.148  -0.934  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        3.710   0.366  -1.657  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.888  -0.362  -1.702  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1        5.062  -1.552  -1.086  0.00  0.00    -0.261 NA
ATOM     11  C   LIG    1        4.007  -2.033  -0.392  0.00  0.00    +0.137 A 
ATOM     12  C   LIG    1        1.337   0.548  -0.826  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  15
ATOM     13  N   LIG    1       -2.009   0.155   0.617  0.00  0.00    -0.309 N 
ATOM     14  H   LIG    1       -1.809  -0.718   1.109  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -0.980   0.766  -0.050  0.00  0.00    +0.253 C 
ATOM     16  O   LIG    1       -1.090   1.875  -0.576  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     17  C   LIG    1       -4.381  -0.229   1.056  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -3.280   0.812   0.877  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -3.177   1.708   2.109  0.00  0.00    +0.027 C 
ENDBRANCH  13  18
ENDBRANCH   1  15
BRANCH  12  20
ATOM     20  O   LIG    1        1.282   1.757  -1.501  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1        0.392   2.155  -1.359  0.00  0.00    +0.292 HD
ENDBRANCH  12  20
TORSDOF 3