REMARK  Name = BDB018779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.676   0.233  -0.930  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -0.087   0.173   0.243  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -1.447  -0.112   0.165  0.00  0.00    +0.096 A 
ATOM      4  N   LIG    1       -2.218  -0.203   1.325  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -1.793  -0.187   2.244  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.568  -0.436   1.258  0.00  0.00    +0.263 C 
ATOM      7  C   LIG    1       -4.177  -0.297  -0.155  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1       -5.494  -1.091  -0.253  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1       -6.614  -0.104  -0.106  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -6.018   1.208   0.230  0.00  0.00    +0.121 C 
ATOM     11  O   LIG    1       -3.331  -0.690  -1.238  0.00  0.00    -0.457 OA
ATOM     12  C   LIG    1       -4.630   1.153  -0.384  0.00  0.00    +0.079 C 
ATOM     13  O   LIG    1       -4.216  -0.636   2.281  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1       -2.016  -0.340  -1.086  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -1.317  -0.296  -2.234  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1        0.003  -0.008  -2.131  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  20
ATOM     17  N   LIG    1        4.966  -1.034   0.478  0.00  0.00    -0.264 N 
ATOM     18  C   LIG    1        4.370  -0.012  -0.225  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        3.011  -0.324  -0.249  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        2.105   0.543  -0.904  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1        2.627   1.696  -1.522  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.990   1.987  -1.483  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        2.925  -1.551   0.453  0.00  0.00    +0.143 A 
ATOM     24  C   LIG    1        4.889   1.140  -0.831  0.00  0.00    +0.028 A 
ATOM     25  N   LIG    1        4.104  -1.976   0.907  0.00  0.00    -0.178 NA
BRANCH  17  27
ATOM     26  C   LIG    1        6.758  -0.502   2.083  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1        6.378  -1.182   0.780  0.00  0.00    +0.141 C 
ENDBRANCH  17  27
ENDBRANCH   1  20
BRANCH   9  28
ATOM     28  C   LIG    1       -7.869  -0.453   0.203  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -8.954  -0.752   0.472  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 3