REMARK  Name = BDB023039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.308   1.161  -1.002  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        0.407   0.483  -2.038  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.939   1.102  -1.714  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.908   1.242  -0.194  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.493   1.427   0.169  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.675  -2.213   1.598  0.00  0.00    -0.065 NA
ATOM      7  C   LIG    1        4.619  -1.456   1.585  0.00  0.00    +0.222 A 
ATOM      8  C   LIG    1        3.989  -0.846   0.404  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        4.326  -0.849  -0.933  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        3.406  -0.111  -1.524  0.00  0.00    +0.203 A 
ATOM     11  N   LIG    1        2.459   0.350  -0.637  0.00  0.00    -0.287 N 
ATOM     12  C   LIG    1        2.853  -0.096   0.582  0.00  0.00    +0.145 A 
ATOM     13  N   LIG    1        2.304   0.114   1.787  0.00  0.00    -0.330 N 
ATOM     14  H   LIG    1        1.502   0.725   1.916  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        2.951  -0.457   2.856  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        4.018  -1.194   2.821  0.00  0.00    -0.214 NA
BRANCH   6  17
ATOM     17  O   LIG    1        6.215  -2.434   0.326  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1        6.993  -2.986   0.521  0.00  0.00    +0.328 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.780   0.776  -3.389  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.359   0.102  -3.956  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.006   2.411  -2.308  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -0.546   2.349  -3.170  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -1.451   0.019   0.580  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.966  -0.037   0.607  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -3.669   0.724   1.556  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -5.066   0.702   1.595  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.772  -0.079   0.685  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -7.491  -0.106   0.734  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -5.094  -0.838  -0.265  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -3.697  -0.815  -0.305  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  O   LIG    1       -0.914  -1.194   0.051  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -1.222  -1.913   0.634  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH   4  23
TORSDOF 7