REMARK  Name = BDB013713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.551  -3.324  -0.277  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1       -2.514  -1.875  -0.209  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -3.701  -1.155  -0.171  0.00  0.00    +0.275 A 
ATOM      4  O   LIG    1       -4.821  -1.659  -0.213  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1       -3.571   0.308  -0.090  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.308   0.879   0.006  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -2.181   2.276   0.019  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.320   3.085  -0.031  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.586   2.508  -0.102  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.134  -0.033   0.075  0.00  0.00    +0.147 A 
ATOM     11  C   LIG    1       -4.714   1.120  -0.137  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1       -1.272  -1.323  -0.047  0.00  0.00    -0.153 NA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        0.126   0.507   0.281  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        0.143   1.347   0.849  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.285  -0.353   0.528  0.00  0.00    +0.118 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.586   0.464   0.409  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  N   LIG    1        3.774  -0.334   0.761  0.00  0.00    -0.301 NA
ATOM     18  C   LIG    1        4.219  -1.168  -0.382  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1        5.209  -0.068  -0.788  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        5.005   0.480   0.631  0.00  0.00    +0.085 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  10  13
TORSDOF 4