REMARK  Name = BDB042443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.424  -1.009  -0.620  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.657   0.164   0.084  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1        2.631   0.315   1.183  0.00  0.00    +0.052 C 
ATOM      4  C   LIG    1        1.367  -0.520   0.929  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        0.873  -0.335  -0.446  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        1.879  -0.798  -1.413  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        3.284  -0.357  -1.101  0.00  0.00    -0.006 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.524   1.606   1.059  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        6.355   2.074   1.634  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        5.121   1.608   1.321  0.00  0.00    -0.254 NA
ATOM     11  C   LIG    1        5.026   0.633   0.384  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        6.157   0.102  -0.233  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        7.419   0.596   0.107  0.00  0.00    +0.022 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.820   2.580   1.748  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.790   2.144   1.440  0.00  0.00    +0.101 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.124  -0.622  -1.931  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.479  -1.317  -2.126  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.512  -0.963  -1.086  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -3.671  -1.835  -0.034  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.107  -2.675   0.024  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.569  -1.675   0.998  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -4.658  -2.490   1.909  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.422  -0.464   0.945  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -5.270   0.423  -0.133  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -6.070   1.569  -0.194  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -7.008   1.818   0.812  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -7.142   0.924   1.872  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -8.045   1.174   2.829  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.359  -0.218   1.952  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -4.278   0.137  -1.173  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6