REMARK  Name = BDB031616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.989  -0.303  -0.297  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -0.930  -0.099  -1.289  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.212  -0.383   0.379  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.307  -1.009   1.430  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.456   1.371  -0.031  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.541   0.566   0.111  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.352  -0.449  -0.790  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.974  -0.407  -1.588  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.154  -1.071  -1.026  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.868  -1.468  -2.156  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.140  -1.097   0.124  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.780  -0.616   1.427  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.516   0.696   1.211  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.314   0.302  -0.251  0.00  0.00    +0.128 A 
ATOM     15  N   LIG    1        2.654   0.173   0.088  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        3.367   1.016  -0.766  0.00  0.00    +0.138 A 
ATOM     17  C   LIG    1        4.783   1.058  -0.622  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        5.386   0.300   0.313  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.620  -0.571   1.187  0.00  0.00    +0.018 A 
ATOM     20  N   LIG    1        2.574   1.656  -1.595  0.00  0.00    -0.235 NA
ATOM     21  C   LIG    1        3.283  -0.616   1.057  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        1.314   1.230  -1.280  0.00  0.00    +0.144 A 
ENDBRANCH   3  14
TORSDOF 2