REMARK  Name = BDB009237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.279   0.328  -0.046  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.775   0.288   0.878  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.520   1.442   1.166  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.175   2.644   0.531  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.134   2.686  -0.398  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.589   1.530  -0.693  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.336  -0.780  -0.732  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        2.786   0.100  -0.511  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.025  -0.930  -0.328  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        0.482  -2.017  -0.174  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.212  -1.934  -0.840  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.405  -1.690  -1.768  0.00  0.00    +0.054 C 
BRANCH  12  15
ATOM     13  C   LIG    1        6.523  -1.993   0.387  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        6.274  -0.687  -0.317  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1        5.301  -0.548  -1.328  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1        5.131   0.706  -1.946  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.897   1.806  -1.563  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.845   1.671  -0.556  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.031   0.435   0.062  0.00  0.00    +0.003 A 
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.641   1.418   2.179  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.590   0.231   2.040  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.517   0.153   0.866  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.559   1.248  -0.163  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.787   1.173  -1.075  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.041  -0.257  -1.535  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.264  -1.186  -0.339  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.303  -0.935   0.790  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -5.249  -1.970   1.853  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -5.969  -2.963   1.826  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -4.359  -1.740   2.866  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -4.299  -2.441   3.597  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.531  -0.668   2.977  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6