REMARK  Name = BDB047335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.607  -2.491  -1.138  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1        4.739  -0.571   1.465  0.00  0.00    +0.011 C 
ATOM      3  C   LIG    1        5.119   0.395   0.324  0.00  0.00    -0.034 C 
ATOM      4  C   LIG    1        4.801  -0.256  -1.048  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        3.651   0.416  -1.814  0.00  0.00    +0.098 C 
ATOM      6  C   LIG    1        2.464   0.801  -0.946  0.00  0.00    +0.083 C 
ATOM      7  N   LIG    1        1.790  -0.416  -0.540  0.00  0.00    -0.331 N 
ATOM      8  H   LIG    1        0.979  -0.287   0.075  0.00  0.00    +0.147 HD
ATOM      9  C   LIG    1        1.623  -1.413  -1.467  0.00  0.00    +0.088 C 
ATOM     10  N   LIG    1        2.243  -1.485  -2.598  0.00  0.00    -0.170 NA
ATOM     11  C   LIG    1        2.860   1.621   0.288  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1        3.149  -0.500  -2.916  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1        3.595  -0.373  -4.055  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1        4.372   1.734   0.491  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1        6.634   0.660   0.425  0.00  0.00    +0.011 C 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.794  -2.145  -1.646  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.313  -0.746  -1.268  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.142  -0.378   0.153  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -1.900  -1.250   1.074  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -3.430  -1.158   0.924  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -3.905   0.270   0.799  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1       -3.022   1.256   0.552  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -1.547   1.025   0.380  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.349   0.542   0.953  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1       -5.801   1.611   1.742  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.168   1.859   1.901  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -8.102   1.038   1.274  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.670  -0.031   0.492  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.303  -0.278   0.336  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5