REMARK  Name = BDB046589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.289   1.088  -2.406  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.290   0.930  -1.473  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        1.047   0.608  -0.546  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.419   1.755  -3.427  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.508  -0.742  -1.556  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -2.331  -1.306  -1.043  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.089  -0.726  -1.312  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.011   0.431  -2.096  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.180   0.985  -2.628  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.421   0.406  -2.355  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -4.854  -1.359  -1.248  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.296  -1.163   0.211  0.00  0.00    +0.102 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.395   0.309   0.572  0.00  0.00    +0.310 C 
ATOM     14  O   LIG    1       -4.860   0.799   1.559  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.188   0.983  -0.306  0.00  0.00    -0.465 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -7.520   2.602   0.902  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       -6.356   2.385  -0.046  0.00  0.00    +0.229 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  18
ATOM     18  C   LIG    1       -6.643  -1.836   0.524  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -6.577  -3.356   0.503  0.00  0.00    +0.004 C 
ENDBRANCH  12  18
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1        2.538   1.641  -1.621  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.534   1.181  -0.591  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.691   1.883   0.614  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.596   1.436   1.579  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.357   0.292   1.342  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        5.187  -0.434   0.162  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.281   0.013  -0.802  0.00  0.00    +0.009 A 
BRANCH  24  27
ATOM     27  O   LIG    1        6.205  -0.116   2.345  0.00  0.00    -0.456 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.495  -0.443   1.989  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        8.272   0.348   1.139  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        9.586  -0.026   0.853  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       10.126  -1.177   1.428  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.356  -1.953   2.294  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        8.042  -1.583   2.580  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 11