REMARK  Name = BDB007546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.696   1.927  -0.697  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1       -1.892  -0.376  -1.764  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1       -2.482   0.230  -0.878  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1       -1.960   1.346  -0.256  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1       -2.571   1.936   0.292  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1       -3.838  -0.206  -0.445  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -4.607  -0.963  -1.336  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -5.894  -1.401  -0.975  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.421  -1.091   0.297  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1       -7.645  -1.486   0.685  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1       -8.383  -2.209  -0.186  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -7.954  -2.566  -1.451  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -5.634  -0.353   1.171  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -6.688  -2.154  -1.849  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -4.352   0.088   0.820  0.00  0.00    +0.015 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        0.524   1.115  -0.223  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.456   1.029   1.212  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.354   0.518   1.391  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.833   1.821  -0.651  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.053   0.983  -0.596  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        3.321   0.492   0.771  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        4.683  -0.156   0.946  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.710   0.040   0.008  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.962  -0.557   0.208  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.202  -1.323   1.348  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.194  -1.503   2.292  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.439   0.839  -1.239  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        4.941  -0.921   2.093  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.212   1.746  -1.089  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6