REMARK  Name = BDB041018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.130  -1.545   0.237  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.242  -0.844   0.008  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -1.914  -0.509   1.299  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.059   0.260   1.639  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -3.303   0.221   2.957  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -2.356  -0.603   3.453  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -2.367  -0.900   4.863  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -3.964   1.034   0.749  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -1.524  -1.084   2.484  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -0.531  -2.018   2.622  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -0.421  -2.572   3.462  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1        0.172  -2.434   1.515  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.884  -3.437   1.605  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -1.110   0.459  -0.770  0.00  0.00    -0.037 A 
ATOM     15  C   LIG    1       -0.390   1.563  -0.275  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -0.279   2.735  -1.024  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -0.876   2.811  -2.275  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1       -0.767   3.940  -2.990  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -1.586   1.736  -2.792  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -1.701   0.562  -2.044  0.00  0.00    +0.007 A 
ENDBRANCH   2  14
BRANCH   1  22
ATOM     21  C   LIG    1        0.921  -1.939  -2.139  0.00  0.00    +0.245 C 
ATOM     22  N   LIG    1        0.496  -2.396  -0.917  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1       -0.057  -3.239  -1.015  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1        0.505  -2.467  -3.165  0.00  0.00    -0.270 OA
BRANCH  21  28
ATOM     25  C   LIG    1        5.023   0.425  -0.443  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        3.869   0.336  -1.398  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        2.949  -0.717  -1.300  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        1.892  -0.821  -2.212  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        1.782   0.098  -3.259  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        2.694   1.147  -3.365  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.732   1.263  -2.439  0.00  0.00    +0.003 A 
ENDBRANCH  21  28
ENDBRANCH   1  22
TORSDOF 3