REMARK  Name = BDB063311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.616  -0.386  -0.827  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.226   0.362   0.265  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.072   1.031   0.253  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -0.950   2.118   1.321  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.027   1.506   2.320  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.007   0.756   1.428  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.103  -0.414  -1.832  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        1.950  -1.184  -0.776  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1        2.087  -2.060  -2.054  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1        3.009  -3.200  -1.649  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1        2.634  -3.503  -0.207  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1        1.839  -2.296   0.299  0.00  0.00    +0.021 C 
BRANCH   8  16
ATOM     13  C   LIG    1        5.375   1.532  -0.609  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        4.352   1.713  -1.539  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.266   0.835  -1.584  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        3.167  -0.248  -0.691  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1        4.210  -0.423   0.232  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        5.300   0.459   0.274  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        7.462   2.293   0.234  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        6.376   2.461  -0.669  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.218   0.051   0.612  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1       -3.455   0.524   0.199  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1       -3.459   1.355  -0.378  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -2.015  -0.976   1.256  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.725  -0.056   0.415  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1       -5.861   0.587  -0.145  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -7.128   0.034   0.062  0.00  0.00    +0.048 A 
ATOM     28  N   LIG    1       -8.043   0.839  -0.579  0.00  0.00    -0.361 N 
ATOM     29  H   LIG    1       -9.039   0.670  -0.595  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -7.408   1.887  -1.186  0.00  0.00    +0.083 A 
ATOM     31  C   LIG    1       -7.332  -1.135   0.802  0.00  0.00    +0.026 A 
ATOM     32  C   LIG    1       -6.208  -1.755   1.346  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.060   1.760  -0.938  0.00  0.00    +0.029 A 
ATOM     34  C   LIG    1       -4.929  -1.227   1.158  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 5