REMARK  Name = BDB017519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.544  -0.380  -0.345  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.684   0.077  -0.034  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.694  -0.689  -0.447  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -3.071  -0.468  -0.269  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -3.768  -1.597  -0.764  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.804  -2.436  -1.353  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.049  -3.722  -1.939  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.966  -1.812  -0.682  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.549  -1.877  -1.125  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.284  -2.280  -1.401  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.773  -1.534  -1.016  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.664   0.539   0.583  0.00  0.00    +0.121 C 
ATOM     13  C   LIG    1       -5.022   1.053   0.092  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -5.195   2.387   0.602  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -3.977   2.784   1.236  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1       -2.905   1.845   0.733  0.00  0.00    +0.055 C 
ENDBRANCH   4  12
BRANCH   1  17
ATOM     17  N   LIG    1        1.589   0.437   0.083  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1        1.202   1.244   0.550  0.00  0.00    +0.155 HD
BRANCH  17  21
ATOM     19  C   LIG    1        3.126   2.599   1.214  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1        3.795   1.430   0.540  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1        2.958   0.334  -0.032  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        3.626  -0.681  -0.620  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1        5.013  -0.701  -0.688  0.00  0.00    -0.219 N 
ATOM     24  C   LIG    1        5.805   0.312  -0.160  0.00  0.00    +0.156 A 
ATOM     25  N   LIG    1        7.077   0.049  -0.357  0.00  0.00    -0.215 NA
ATOM     26  C   LIG    1        7.036  -1.143  -1.014  0.00  0.00    +0.246 A 
ATOM     27  N   LIG    1        5.821  -1.643  -1.241  0.00  0.00    -0.154 NA
ATOM     28  C   LIG    1        5.145   1.397   0.467  0.00  0.00    +0.053 A 
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3