REMARK  Name = BDB031619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.038  -1.870   0.385  0.00  0.00    +0.134 C 
ATOM      2  N   LIG    1       -0.963  -0.414   0.408  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1        0.146   0.282  -0.064  0.00  0.00    +0.309 C 
ATOM      4  N   LIG    1        1.391  -0.254   0.203  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1        2.598   0.217  -0.356  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.690  -0.258   0.370  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        4.991   0.057   0.004  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        5.187   0.858  -1.121  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        4.090   1.339  -1.852  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.247  -1.031   1.568  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        2.783   1.020  -1.469  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.736  -1.149   1.325  0.00  0.00    +0.120 C 
ATOM     13  O   LIG    1       -0.015   1.358  -0.645  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -2.222   0.340   0.539  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -3.120  -0.142   1.692  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -2.723  -0.803   2.650  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -4.437   0.254   1.629  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.026  -0.059   2.389  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -5.094   0.814   0.563  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -6.311   0.971   0.584  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -4.241   1.257  -0.601  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -3.025   0.359  -0.765  0.00  0.00    +0.041 C 
ENDBRANCH   2  14
TORSDOF 1