REMARK  Name = BDB014979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.241  -0.932   2.168  0.00  0.00    +0.193 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.915  -0.413   1.297  0.00  0.00    +0.154 C 
BRANCH   2   3
ATOM      3  O   LIG    1        0.659   0.971   1.009  0.00  0.00    -0.388 OA
ATOM      4  H   LIG    1       -0.287   1.022   0.770  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.265  -0.565   2.033  0.00  0.00    +0.118 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.455  -0.538   1.153  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        3.565   0.745   0.423  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        4.881   0.932  -0.308  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        6.009   0.156   0.010  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        7.216   0.367  -0.669  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.312   1.363  -1.641  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.203   2.149  -1.945  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.896  -0.940   1.036  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        4.995   1.937  -1.281  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.676  -0.758   1.947  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -1.498  -0.724   1.507  0.00  0.00    -0.369 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.828  -1.779   0.601  0.00  0.00    +0.237 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.139  -1.455   0.002  0.00  0.00    +0.163 A 
ATOM     19  O   LIG    1       -3.545  -2.260  -1.013  0.00  0.00    -0.357 OA
ATOM     20  N   LIG    1       -4.777  -1.846  -1.468  0.00  0.00    -0.078 NA
ATOM     21  C   LIG    1       -5.127  -0.781  -0.725  0.00  0.00    +0.114 A 
ATOM     22  C   LIG    1       -4.106  -0.505   0.225  0.00  0.00    +0.078 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -6.397  -0.076  -0.937  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.751   1.036  -0.157  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -7.965   1.702  -0.367  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -8.836   1.261  -1.360  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1      -10.327   2.080  -1.616  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -8.505   0.161  -2.145  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.292  -0.503  -1.934  0.00  0.00    +0.011 A 
ENDBRANCH  21  23
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8