REMARK  Name = BDB023056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.392   1.291  -0.796  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.195   0.087  -1.540  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.644   0.509  -1.682  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.929   1.256  -0.375  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -0.653   1.804   0.061  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.747  -0.525   1.262  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        4.907  -0.385   0.284  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.612   0.219   0.563  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        2.993   0.734   1.726  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.739   1.190   1.356  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.565   0.952   0.006  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        2.712   0.379  -0.461  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        3.000  -0.008  -1.716  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        2.336   0.037  -2.489  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        4.236  -0.581  -1.914  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        5.159  -0.780  -1.025  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        7.822  -1.236   1.930  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        6.941  -1.125   0.822  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.400  -0.151  -2.826  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.018  -0.989  -3.154  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.759   1.430  -2.782  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -1.156   1.116  -3.484  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.511   0.366   0.765  0.00  0.00    +0.117 C 
ATOM     24  C   LIG    1       -2.717   1.187   2.052  0.00  0.00    +0.049 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.839  -0.292   0.377  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1       -4.913   0.477  -0.111  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -6.131  -0.118  -0.465  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -7.384   0.914  -1.059  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -6.299  -1.498  -0.332  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1       -7.769  -2.302  -0.751  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -5.249  -2.274   0.159  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -4.035  -1.677   0.512  0.00  0.00    +0.008 A 
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  O   LIG    1       -1.545  -0.655   1.066  0.00  0.00    -0.382 OA
ATOM     34  H   LIG    1       -0.820  -0.225   1.558  0.00  0.00    +0.211 HD
ENDBRANCH  23  33
ENDBRANCH   4  23
TORSDOF 7