REMARK  Name = BDB045626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.463  -0.944  -1.882  0.00  0.00    +0.010 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.352   0.089  -1.189  0.00  0.00    +0.098 C 
BRANCH   2   3
ATOM      3  C   LIG    1        3.828  -0.185  -1.413  0.00  0.00    +0.238 C 
ATOM      4  N   LIG    1        4.712   0.539  -0.625  0.00  0.00    -0.183 N 
ATOM      5  O   LIG    1        4.249  -1.014  -2.223  0.00  0.00    -0.274 OA
BRANCH   4   6
ATOM      6  O   LIG    1        6.071   0.317  -0.996  0.00  0.00    -0.292 OA
ATOM      7  H   LIG    1        5.982  -0.374  -1.692  0.00  0.00    +0.242 HD
ENDBRANCH   4   6
BRANCH   4   8
ATOM      8  C   LIG    1        4.524   1.923  -0.196  0.00  0.00    +0.151 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.230   2.206   1.125  0.00  0.00    +0.142 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.513   1.514   2.254  0.00  0.00    +0.306 C 
ATOM     11  O   LIG    1        3.306   1.323   2.290  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1        5.328   1.162   3.273  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        6.274   1.348   3.116  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.034  -0.655  -1.722  0.00  0.00    +0.016 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.530  -0.829  -0.278  0.00  0.00    +0.084 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.995  -0.657  -0.193  0.00  0.00    -0.302 NA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.351   0.777  -0.157  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.780   1.011  -0.672  0.00  0.00    +0.015 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.426   3.394  -1.526  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -4.213   2.479  -0.600  0.00  0.00    -0.002 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1       -2.530  -1.353   0.998  0.00  0.00    +0.084 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.691  -2.859   0.741  0.00  0.00    +0.015 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.382  -3.594   1.893  0.00  0.00    -0.002 C 
ATOM     24  C   LIG    1       -2.567  -3.606   3.178  0.00  0.00    +0.004 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 16