REMARK  Name = BDB015093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.098   2.057  -0.083  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.965   0.962  -0.125  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        4.356   1.145  -0.242  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1        4.858   2.454  -0.313  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        3.998   3.550  -0.269  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.624   3.348  -0.153  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        5.271  -0.007  -0.265  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        5.365  -0.899  -1.350  0.00  0.00    +0.049 A 
ATOM      9 CL   LIG    1        4.408  -0.707  -2.779  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        6.259  -1.978  -1.319  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        7.086  -2.192  -0.207  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        6.993  -1.314   0.880  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        6.101  -0.238   0.848  0.00  0.00    +0.010 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.045  -3.358  -0.161  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        7.591  -4.368   0.630  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.279  -3.914  -1.382  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.267  -3.012   0.331  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  O   LIG    1        0.737   2.002   0.032  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.131   0.702   0.004  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.388   0.899   0.119  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.827   1.681  -1.004  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -1.239   2.461  -1.026  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.118  -0.463   0.127  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.483  -0.436   0.700  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.370   0.486  -0.041  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.833   0.386   0.355  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.327  -0.736   1.041  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.687  -0.808   1.373  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.557   0.217   1.004  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.076   1.322   0.305  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.381  -1.825   1.472  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.722   1.405  -0.021  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.062  -1.790   0.691  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8