REMARK  Name = BDB009050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.270  -2.107   0.920  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.133  -1.973  -0.177  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.444  -2.479  -0.141  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.873  -3.159   1.005  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.018  -3.301   2.097  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.725  -2.775   2.056  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.010  -1.498   1.758  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.024  -1.560   0.790  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.217  -1.101  -0.090  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.915  -1.845   2.929  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.732   0.259   0.512  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1        5.005  -0.543  -0.379  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.796  -1.124   0.011  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.296  -0.900   1.300  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        4.027  -0.117   2.200  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        5.235   0.463   1.806  0.00  0.00    +0.004 A 
BRANCH  11  17
ATOM     17  C   LIG    1        7.036   0.889   0.085  0.00  0.00    +0.035 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.194   3.269  -0.271  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        6.866   2.054  -0.896  0.00  0.00    +0.001 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.364  -2.332  -1.330  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.455  -0.902  -1.857  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.223   0.126  -1.087  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.948  -0.235   0.180  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.943   0.837   0.635  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.338   2.230   0.522  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.922   2.531  -0.919  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.231   1.374  -1.587  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.526   1.671  -2.859  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.527   2.793  -3.354  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.881   0.617  -3.446  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.399   0.798  -4.320  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.827  -0.654  -2.969  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6