REMARK  Name = BDB009289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.955  -1.612   0.022  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.706  -0.619   0.661  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.577  -0.957   1.706  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.659  -2.302   2.106  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.921  -3.293   1.453  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.073  -2.952   0.403  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.568  -0.653  -2.058  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.066  -1.227  -1.095  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        1.285  -1.535  -1.007  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        1.979  -1.926   0.226  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        3.397  -1.325   0.288  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        4.268  -1.722  -0.839  0.00  0.00    -0.297 NA
ATOM     13  C   LIG    1        3.492  -1.961  -2.079  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        2.140  -1.231  -2.154  0.00  0.00    +0.123 C 
BRANCH  12  15
ATOM     15  C   LIG    1        5.356  -0.755  -1.067  0.00  0.00    +0.112 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.296  -0.562   0.140  0.00  0.00    +0.175 C 
BRANCH  16  17
ATOM     17  O   LIG    1        7.453   0.213  -0.195  0.00  0.00    -0.376 OA
BRANCH  17  18
ATOM     18  C   LIG    1        7.179   1.617  -0.300  0.00  0.00    +0.187 C 
BRANCH  18  19
ATOM     19  C   LIG    1        8.506   2.339  -0.518  0.00  0.00    +0.184 C 
BRANCH  19  20
ATOM     20  O   LIG    1        9.367   2.110   0.597  0.00  0.00    -0.393 OA
ATOM     21  H   LIG    1        9.360   1.141   0.729  0.00  0.00    +0.209 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -3.377   0.089   2.451  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.869   1.250   1.593  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -5.086   1.076   0.741  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -5.804  -0.244   0.678  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -6.822  -0.331  -0.463  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.633   0.954  -0.579  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.721   2.158  -0.826  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.495   2.152   0.045  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.727   3.421   0.117  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -5.070   4.421  -0.505  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.618   3.405   0.919  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -3.080   4.263   0.981  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -3.184   2.354   1.665  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 9