REMARK  Name = BDB045026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.819  -0.416  -1.441  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1        0.978   0.365  -0.428  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -0.518   0.007  -0.567  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -0.870  -0.463  -1.991  0.00  0.00    +0.093 C 
ATOM      5  N   LIG    1       -0.077   0.201  -3.029  0.00  0.00    -0.314 NA
ATOM      6  H   LIG    1       -0.220   1.212  -2.946  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1        1.360  -0.076  -2.877  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        3.971  -0.776  -0.294  0.00  0.00    +0.401 C 
ATOM      9  N   LIG    1        3.235  -0.154  -1.258  0.00  0.00    -0.277 N 
ATOM     10  H   LIG    1        3.647   0.696  -1.619  0.00  0.00    +0.152 HD
ATOM     11  O   LIG    1        3.577  -1.698   0.400  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     12  O   LIG    1        5.186  -0.187  -0.234  0.00  0.00    -0.445 OA
BRANCH  12  14
ATOM     13  C   LIG    1        5.707  -0.438   2.161  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1        6.182  -0.641   0.718  0.00  0.00    +0.107 C 
ATOM     15  C   LIG    1        7.399   0.264   0.470  0.00  0.00    +0.055 C 
ATOM     16  C   LIG    1        6.590  -2.094   0.448  0.00  0.00    +0.055 C 
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -1.419   1.177  -0.167  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1       -2.690   0.903   0.339  0.00  0.00    -0.294 N 
ATOM     19  O   LIG    1       -1.029   2.338  -0.327  0.00  0.00    -0.275 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.462   2.018   0.864  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -2.977   2.798   2.061  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -4.212   1.960   2.172  0.00  0.00    +0.024 C 
ENDBRANCH  18  20
BRANCH  18  23
ATOM     23  C   LIG    1       -3.300  -0.436   0.441  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.713  -0.521  -0.107  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -5.750  -1.208   0.560  0.00  0.00    +0.064 A 
ATOM     26 CL   LIG    1       -5.444  -1.988   2.081  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -7.032  -1.273  -0.014  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -8.356  -2.085   0.751  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -7.285  -0.677  -1.252  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -6.264  -0.018  -1.929  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.991   0.052  -1.365  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH   3  17
TORSDOF 7