REMARK  Name = BDB019079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.123  -0.102  -0.786  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        1.488   0.274  -1.999  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1        0.365   1.068  -1.899  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.025   1.359  -3.181  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.724   0.749  -4.076  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -0.165   1.489  -0.668  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.449   1.177   0.444  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.664   0.063  -3.348  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.577   0.385   0.352  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.828  -3.283  -0.429  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        5.583  -2.460  -0.540  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        4.485  -2.897   0.104  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        3.383  -2.120   0.006  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        3.334  -0.927  -0.690  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        4.521  -0.578  -1.304  0.00  0.00    +0.123 A 
ATOM     16  N   LIG    1        5.652  -1.314  -1.244  0.00  0.00    -0.240 NA
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1       -1.312   2.254  -0.601  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.389   2.582   0.360  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.598   1.689  -1.004  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.090   0.681  -0.006  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.737   1.040   1.173  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.051   2.378   1.730  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.002   1.964   2.854  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -4.744   0.587   3.206  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.137   0.074   2.089  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -3.915  -1.274   1.887  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -3.273  -1.657   0.711  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -2.869  -0.687  -0.216  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -2.243  -1.090  -1.331  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4