REMARK  Name = BDB018945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.126  -0.878   1.081  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1       -1.214  -0.565   0.738  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.259  -0.723   1.669  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.583  -0.405   1.316  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.903   0.068   0.037  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.881   0.222  -0.911  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.989  -1.171   3.082  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.617  -1.805   3.224  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.554  -0.079  -0.537  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.419  -0.938   2.523  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.883   0.334  -0.344  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        3.568  -0.252  -0.355  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        3.464  -1.035  -1.511  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        2.302  -1.751  -1.827  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        1.217  -1.673  -0.946  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        1.258  -0.906   0.226  0.00  0.00    +0.070 A 
ATOM     17  N   LIG    1        4.662  -0.928  -2.181  0.00  0.00    -0.349 N 
ATOM     18  C   LIG    1        4.967  -1.569  -3.441  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1        2.450  -0.204   0.512  0.00  0.00    +0.154 A 
ATOM     20  F   LIG    1        2.523   0.528   1.635  0.00  0.00    -0.203 F 
ATOM     21  C   LIG    1        5.521  -0.119  -1.490  0.00  0.00    +0.099 A 
BRANCH  11  25
ATOM     22  C   LIG    1        7.528   2.005   1.707  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        6.831   1.254   0.696  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        7.319   0.504   0.229  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        5.449   1.248   0.648  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1        4.766   1.947   1.388  0.00  0.00    -0.270 OA
ENDBRANCH  11  25
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1       -5.288   0.376  -0.251  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.759   1.621  -0.607  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1       -7.109   1.488  -0.754  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1       -8.049   2.518  -1.122  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -7.553   0.240  -0.511  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -6.444  -0.431  -0.187  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1       -3.148   0.715  -2.311  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1       -3.274   2.071  -2.377  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -2.149   0.402  -3.189  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4