REMARK  Name = BDB018919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.198   0.147  -0.409  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.180  -0.818  -0.445  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.838  -0.395  -0.343  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.474   0.959  -0.219  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1       -0.883   1.350  -0.126  0.00  0.00    -0.299 N 
ATOM      6  C   LIG    1       -1.173   2.768  -0.392  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1       -0.191   3.656   0.358  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.219   3.386  -0.138  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.511   1.910  -0.212  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.853   1.501  -0.311  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.995   0.544   0.199  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.187   0.602  -0.540  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1       -4.220  -0.221  -0.147  0.00  0.00    +0.090 A 
ATOM     14  N   LIG    1       -5.505  -0.398  -0.673  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -6.172  -1.373   0.100  0.00  0.00    +0.331 A 
ATOM     16  N   LIG    1       -5.268  -1.772   1.097  0.00  0.00    -0.280 N 
ATOM     17  C   LIG    1       -5.487  -2.752   2.118  0.00  0.00    +0.155 C 
ATOM     18  O   LIG    1       -7.309  -1.784  -0.070  0.00  0.00    -0.246 OA
ATOM     19  C   LIG    1       -6.042   0.283  -1.814  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1       -4.072  -1.070   0.945  0.00  0.00    +0.161 A 
ATOM     21  N   LIG    1       -2.971  -1.174   1.694  0.00  0.00    -0.234 NA
ATOM     22  C   LIG    1       -1.958  -0.357   1.292  0.00  0.00    +0.136 A 
ENDBRANCH   5  11
BRANCH   1  27
ATOM     23  C   LIG    1        7.662  -1.749   0.601  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        6.569  -1.037  -0.016  0.00  0.00    -0.274 N 
ATOM     25  N   LIG    1        6.792  -0.317  -1.132  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.595   0.206  -1.412  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1        4.602  -0.197  -0.494  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.274  -0.992   0.410  0.00  0.00    +0.116 A 
ENDBRANCH   1  27
BRANCH   2  29
ATOM     29  C   LIG    1        2.472  -2.291  -0.587  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        1.389  -3.013  -1.005  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        2.851  -2.864   0.591  0.00  0.00    -0.204 F 
ENDBRANCH   2  29
TORSDOF 3