REMARK  Name = BDB047493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.640   1.052   1.342  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.751   0.257   0.200  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.006  -0.215  -0.162  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.341  -1.113  -1.313  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -3.857  -0.903  -1.423  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -4.360  -0.599   0.009  0.00  0.00    +0.034 C 
ATOM      7  C   LIG    1       -3.147   0.081   0.594  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -3.045   0.849   1.740  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.786   1.339   2.103  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1        0.512   1.596   1.840  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        1.734   1.389   1.126  0.00  0.00    +0.235 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.395   0.079   1.550  0.00  0.00    +0.100 C 
BRANCH  12  15
ATOM     13  C   LIG    1        2.940  -2.395  -0.663  0.00  0.00    +0.088 C 
ATOM     14  C   LIG    1        3.763  -1.272  -0.185  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        3.579  -0.245   0.717  0.00  0.00    +0.086 A 
ATOM     16  N   LIG    1        4.715   0.530   0.767  0.00  0.00    -0.214 NA
ATOM     17  C   LIG    1        5.542  -0.044  -0.087  0.00  0.00    +0.228 A 
ATOM     18  O   LIG    1        5.020  -1.152  -0.705  0.00  0.00    -0.440 OA
BRANCH  17  19
ATOM     19  C   LIG    1        6.904   0.337  -0.452  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        7.494   1.459   0.150  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        8.795   1.848  -0.178  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        9.524   1.119  -1.115  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        8.954   0.002  -1.722  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.653  -0.387  -1.393  0.00  0.00    +0.013 A 
ENDBRANCH  17  19
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  25
ATOM     25  C   LIG    1       -5.703   0.153   0.092  0.00  0.00    +0.108 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.829  -0.697  -0.473  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -8.224  -0.582   0.090  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -7.417  -1.826   0.336  0.00  0.00    +0.004 C 
ENDBRANCH  25  26
BRANCH  25  29
ATOM     29  C   LIG    1       -5.652   1.511  -0.591  0.00  0.00    +0.309 C 
ATOM     30  O   LIG    1       -5.826   1.742  -1.777  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.392   2.521   0.264  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -5.355   3.314  -0.310  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH   6  25
TORSDOF 9