REMARK  Name = BDB053722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.853  -0.767   0.734  0.00  0.00    +0.043 A 
ATOM      2  N   LIG    1       -1.146  -2.042   0.242  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.054  -2.745   0.122  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1        1.065  -1.986   0.706  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        2.349  -2.559   0.792  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        2.536  -3.837   0.274  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.454  -4.486  -0.293  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1        0.204  -3.990  -0.391  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        0.494  -0.745   1.095  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.159   0.377   1.744  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        2.180   1.010   1.044  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.875   2.124   1.688  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.243   2.394   1.041  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.201   2.660  -0.408  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.037   2.265  -0.838  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        2.997   2.103  -1.046  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.453   0.823  -0.387  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.813   0.731   2.869  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.437  -2.570  -0.067  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -3.530  -2.292   0.765  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.790  -2.816   0.468  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.964  -3.629  -0.650  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.876  -3.929  -1.468  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.613  -3.409  -1.175  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -1.817   0.396   0.755  0.00  0.00    +0.090 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.347   3.293   1.568  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.226   2.830   0.144  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1       -1.444   1.488  -0.239  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -1.358   1.149  -1.607  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.021   2.100  -2.571  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -0.776   3.412  -2.186  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -0.882   3.764  -0.844  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1       -0.651   5.042  -0.507  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4