REMARK  Name = BDB009267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.963   2.184  -1.459  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.589   2.104  -0.207  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.758   2.837   0.056  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -3.276   3.671  -0.947  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.663   3.742  -2.198  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.514   2.995  -2.457  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.089   1.098  -0.709  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        0.971   1.635   0.139  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        0.269   1.408  -1.776  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        0.521   1.104  -2.937  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.389   0.488  -0.933  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.904  -0.212   0.323  0.00  0.00    +0.054 C 
BRANCH  12  17
ATOM     13  C   LIG    1        5.656  -2.656  -0.667  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1        6.800  -1.932  -0.314  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        6.691  -0.658   0.244  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        5.423  -0.111   0.453  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        4.266  -0.823   0.112  0.00  0.00    -0.039 A 
ATOM     18  C   LIG    1        4.393  -2.100  -0.456  0.00  0.00    +0.049 A 
BRANCH  13  20
ATOM     19  C   LIG    1        4.784  -4.665  -1.599  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.909  -3.888  -1.208  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  15  21
ATOM     21  O   LIG    1        7.730   0.147   0.624  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1        9.042  -0.359   0.415  0.00  0.00    +0.277 C 
ENDBRANCH  15  21
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -3.434   2.765   1.406  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.646   1.340   1.910  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.706   0.483   1.292  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.601   1.018   0.209  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -6.823   0.132  -0.059  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.433  -1.340  -0.103  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.794  -1.777   1.216  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -4.810  -0.775   1.754  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -3.923  -1.243   2.848  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -4.005  -2.376   3.309  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -3.014  -0.331   3.312  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -2.401  -0.631   4.063  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -2.855   0.942   2.862  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8