REMARK  Name = BDB033073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.261  -1.478   0.086  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.941  -0.698   0.615  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.231   0.221  -0.462  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.774  -0.269  -1.679  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -0.984   0.214  -2.779  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.011  -1.546  -1.418  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.730  -1.422   0.318  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.516  -0.776   0.353  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        1.490   0.228   0.487  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.850  -2.640   0.225  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        3.223   1.158  -1.242  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        4.148   0.635  -0.178  0.00  0.00    -0.035 A 
ATOM     13  C   LIG    1        3.940  -0.583   0.504  0.00  0.00    +0.081 A 
ATOM     14  C   LIG    1        4.915  -1.053   1.401  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        6.040  -0.290   1.697  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.220   0.941   1.075  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.287   1.397   0.141  0.00  0.00    +0.004 A 
BRANCH  14  18
ATOM     18  O   LIG    1        4.824  -2.269   2.030  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        4.162  -2.808   1.544  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.210   1.287  -0.346  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.634   0.768  -0.275  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.401   0.787   0.914  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.712   0.270   0.890  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -6.258  -0.255  -0.280  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.507  -0.268  -1.449  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.209   0.239  -1.447  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.862   1.355   2.208  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -2.736   0.715   2.629  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -3.528   2.671   2.102  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.737   1.279   3.250  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6