REMARK  Name = BDB040464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.071   1.549  -0.679  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.512   0.854  -1.806  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.761   0.217  -1.815  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.160  -0.641  -3.267  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.619   0.256  -0.695  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.143   0.936   0.448  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -4.033   1.021   1.931  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.893   1.571   0.451  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.983  -0.431  -0.733  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -6.138   0.481  -0.328  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -6.194   1.672  -0.631  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -7.186  -0.115   0.333  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -7.951   0.497   0.582  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.428  -1.457   0.478  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.503  -1.864   0.910  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.350  -2.393  -0.008  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.979  -1.741   0.064  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.280   2.212  -0.653  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.661   1.358   1.213  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.271   1.313  -0.110  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.649   0.597  -0.716  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.230   2.204   1.994  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.659   0.248   1.636  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1        3.063   0.454   3.112  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        1.893  -1.091   1.551  0.00  0.00    +0.025 C 
BRANCH  23  30
ATOM     26  C   LIG    1        5.613  -0.679  -0.643  0.00  0.00    +0.215 A 
ATOM     27  N   LIG    1        6.270   0.485  -0.810  0.00  0.00    -0.221 NA
ATOM     28  C   LIG    1        5.762   1.556  -0.170  0.00  0.00    +0.115 A 
ATOM     29  C   LIG    1        4.619   1.517   0.616  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        3.930   0.303   0.772  0.00  0.00    -0.027 A 
ATOM     31  C   LIG    1        4.462  -0.818   0.123  0.00  0.00    +0.071 A 
BRANCH  26  33
ATOM     32  C   LIG    1        7.272  -1.621  -1.998  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1        6.071  -1.827  -1.261  0.00  0.00    -0.480 OA
ENDBRANCH  26  33
ENDBRANCH  23  30
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6