REMARK  Name = BDB018665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.129  -1.138  -1.006  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.056  -0.405  -1.540  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        1.195  -0.427  -0.922  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1        2.251   0.307  -1.467  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        2.156   0.721  -2.387  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        3.478   0.453  -0.871  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        3.576   0.029   0.596  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        5.040  -0.123   1.039  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        5.395   1.131   1.774  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        4.256   2.070   1.664  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        2.801  -1.279   0.799  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        3.049   1.161   1.492  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        4.393   0.999  -1.484  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        1.414  -1.197   0.223  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        0.361  -1.945   0.753  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -0.898  -1.906   0.148  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -3.622  -0.701  -0.957  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1       -2.458  -1.107  -1.644  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -2.597  -1.487  -2.990  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.846  -1.478  -3.606  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1       -3.948  -1.849  -4.889  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.987  -1.101  -2.912  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1       -4.878  -0.719  -1.577  0.00  0.00    +0.049 A 
BRANCH  17  24
ATOM     24  O   LIG    1       -3.539  -0.349   0.368  0.00  0.00    -0.489 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -2.512   1.693   1.099  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -3.797   1.047   0.591  0.00  0.00    +0.167 C 
ATOM     27  C   LIG    1       -4.899   1.155   1.639  0.00  0.00    +0.051 C 
ENDBRANCH  24  26
ENDBRANCH  17  24
ENDBRANCH   1  18
BRANCH   9  28
ATOM     28  C   LIG    1        6.657   1.520   2.001  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        7.746   1.854   2.205  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 4