REMARK  Name = BDB032802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.534  -0.521  -1.962  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.275   0.634  -1.676  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.619   0.481  -1.390  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.616   1.506  -1.066  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.798   0.842  -0.753  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.701  -0.583  -1.067  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.407   2.702  -1.093  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.252  -0.757  -1.375  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.537  -1.909  -1.648  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.171  -1.785  -1.935  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        6.083   1.538  -0.615  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        7.243   0.569  -0.333  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        7.717  -0.171  -1.194  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.638   0.439   0.978  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.336  -0.269   1.159  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.021   0.957   2.088  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.314   0.558   3.212  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.935   1.977   1.849  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.079   2.616   0.476  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.943  -0.424  -2.255  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.639  -0.560  -1.014  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.535  -0.653   0.103  0.00  0.00    -0.248 N 
ATOM     23  H   LIG    1       -2.859  -0.747   0.851  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.991  -0.522  -1.140  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -3.573  -0.392  -2.206  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -8.411  -0.399  -0.948  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -7.281  -0.576   0.025  0.00  0.00    -0.048 A 
ATOM     28  C   LIG    1       -5.952  -0.547  -0.428  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1       -4.893  -0.671   0.472  0.00  0.00    +0.072 A 
ATOM     30  C   LIG    1       -5.183  -0.820   1.835  0.00  0.00    +0.147 A 
ATOM     31  F   LIG    1       -4.165  -0.931   2.706  0.00  0.00    -0.203 F 
ATOM     32  C   LIG    1       -6.496  -0.852   2.312  0.00  0.00    -0.013 A 
ATOM     33  C   LIG    1       -6.766  -0.973   3.780  0.00  0.00    +0.047 C 
ATOM     34  C   LIG    1       -7.544  -0.710   1.396  0.00  0.00    +0.009 A 
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5