REMARK  Name = BDB015030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.901   0.993   1.273  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.956   0.778   0.385  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        4.282   0.688   0.848  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1        4.527   0.812   2.224  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        3.476   1.025   3.115  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.170   1.115   2.638  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        5.390   0.452  -0.090  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        5.911   1.453  -0.929  0.00  0.00    +0.049 A 
ATOM      9 CL   LIG    1        5.298   3.071  -0.914  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        6.966   1.173  -1.805  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        7.517  -0.108  -1.858  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        7.016  -1.128  -1.040  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        5.962  -0.834  -0.158  0.00  0.00    +0.022 A 
BRANCH  12  14
ATOM     14  C   LIG    1        7.622  -2.512  -1.072  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        8.604  -2.665  -0.142  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.188  -2.820  -2.271  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.714  -3.496  -0.825  0.00  0.00    -0.166 F 
ENDBRANCH  12  14
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  O   LIG    1        0.578   1.100   0.942  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.243   0.992  -0.442  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.271   1.148  -0.609  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.608   1.064  -2.000  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -2.553   0.803  -2.007  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.051   0.059   0.163  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.492   0.072  -0.192  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.115  -1.199   0.238  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.618  -1.231   0.064  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.359  -0.041  -0.033  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.753  -0.095  -0.163  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.412  -1.324  -0.171  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.684  -2.506  -0.054  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.646   1.286  -0.063  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.294  -2.461   0.065  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.202   1.194   0.451  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8