REMARK  Name = BDB051025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.290   0.807   0.485  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.341  -0.087  -0.075  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.567  -1.579   0.002  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -0.183   0.420  -0.722  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.038   1.813  -0.785  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -0.904   2.642  -0.197  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -0.553   3.948  -0.346  0.00  0.00    -0.444 OA
ATOM      8  C   LIG    1        0.616   3.973  -1.042  0.00  0.00    +0.195 A 
ATOM      9 CL   LIG    1        1.435   5.427  -1.457  0.00  0.00    -0.043 Cl
ATOM     10  C   LIG    1        1.014   2.689  -1.342  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -2.058   2.195   0.440  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        0.800  -0.490  -1.351  0.00  0.00    +0.245 C 
ATOM     13  N   LIG    1        2.095  -0.346  -0.909  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        2.321   0.432  -0.303  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        0.447  -1.302  -2.197  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.177  -1.030  -1.582  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.465  -0.791  -0.864  0.00  0.00    +0.075 A 
ATOM     18  C   LIG    1        5.061   0.574  -0.981  0.00  0.00    +0.257 A 
ATOM     19  O   LIG    1        4.503   1.478  -1.598  0.00  0.00    -0.267 OA
ATOM     20  N   LIG    1        6.260   0.781  -0.342  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        6.640   1.716  -0.427  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        6.914  -0.162   0.414  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        8.183   0.259   1.087  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        6.383  -1.389   0.523  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        5.153  -1.716  -0.169  0.00  0.00    +0.132 A 
BRANCH  25  26
ATOM     26  O   LIG    1        4.684  -2.997   0.030  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        5.333  -3.934  -0.831  0.00  0.00    +0.277 C 
ENDBRANCH  25  26
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   4  12
BRANCH   1  28
ATOM     28  N   LIG    1       -3.474   0.292   1.059  0.00  0.00    -0.327 N 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.556   0.096   0.058  0.00  0.00    +0.078 C 
ATOM     30  C   LIG    1       -5.325  -1.197   0.360  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1       -6.612  -1.218  -0.449  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1       -7.484  -0.123  -0.166  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -6.879   0.995   0.475  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1       -5.497   1.304  -0.078  0.00  0.00    +0.050 C 
ENDBRANCH  28  29
BRANCH  28  36
ATOM     35  C   LIG    1       -2.821   0.292   3.440  0.00  0.00    +0.024 C 
ATOM     36  C   LIG    1       -3.829   0.773   2.404  0.00  0.00    +0.102 C 
ENDBRANCH  28  36
ENDBRANCH   1  28
TORSDOF 7