REMARK  Name = BDB036946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.001   1.079   0.604  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.822   0.738   0.603  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        2.879   1.451  -0.092  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1        3.226   2.228  -0.637  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        1.543   1.155  -0.266  0.00  0.00    +0.240 C 
ATOM      6  O   LIG    1        0.873   1.845  -1.032  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        1.005  -0.021   0.576  0.00  0.00    +0.160 C 
ATOM      8  C   LIG    1        2.108  -1.072   0.740  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        3.322  -0.441   1.401  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -0.195  -0.667   0.022  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -1.448  -0.038   0.135  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -2.330  -0.429  -0.879  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -3.635   0.035  -0.950  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.066   0.930   0.027  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.199   1.329   1.052  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -1.654  -1.406  -1.778  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -1.888   0.840   1.113  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -0.190  -1.206  -1.355  0.00  0.00    +0.110 C 
ENDBRANCH   7  10
TORSDOF 1