REMARK  Name = BDB040615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.679  -3.079  -1.034  0.00  0.00    +0.225 C 
ATOM      2  N   LIG    1        1.317  -2.158  -2.008  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.761  -1.252  -1.979  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.052  -4.124  -0.866  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        3.195  -3.779   0.858  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.941  -2.706  -0.220  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        4.142  -2.720  -1.187  0.00  0.00    +0.027 C 
BRANCH   6   8
ATOM      8  C   LIG    1        2.702  -1.370   0.485  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        1.615  -1.291   1.299  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1        1.369  -0.093   1.884  0.00  0.00    +0.178 A 
ATOM     11  C   LIG    1        2.158   1.018   1.653  0.00  0.00    +0.241 A 
ATOM     12  N   LIG    1        3.251   0.960   0.867  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        3.504  -0.246   0.297  0.00  0.00    +0.139 A 
BRANCH  11  14
ATOM     14  O   LIG    1        1.870   2.172   2.323  0.00  0.00    -0.387 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.041   3.296   1.483  0.00  0.00    +0.576 C 
ATOM     16  F   LIG    1        1.411   4.353   2.053  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        1.499   3.112   0.258  0.00  0.00    -0.133 F 
ATOM     18  F   LIG    1        3.345   3.628   1.361  0.00  0.00    -0.133 F 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  C   LIG    1       -0.025  -2.169  -2.551  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.900  -1.288  -1.695  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -0.924   0.099  -1.888  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -1.610   0.944  -1.001  0.00  0.00    +0.048 A 
ATOM     23 CL   LIG    1       -1.535   2.629  -1.369  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -2.288   0.422   0.111  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1       -2.284  -0.976   0.257  0.00  0.00    +0.129 A 
ATOM     26  F   LIG    1       -2.941  -1.534   1.286  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -1.601  -1.821  -0.614  0.00  0.00    +0.044 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -3.004   1.222   1.189  0.00  0.00    +0.110 C 
ATOM     29  C   LIG    1       -2.265   2.467   1.654  0.00  0.00    +0.227 C 
ATOM     30  O   LIG    1       -1.117   2.422   2.096  0.00  0.00    -0.275 OA
ATOM     31  N   LIG    1       -2.927   3.664   1.539  0.00  0.00    -0.256 N 
ATOM     32  H   LIG    1       -2.413   4.478   1.848  0.00  0.00    +0.157 HD
ATOM     33  C   LIG    1       -4.022   3.937   0.758  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1       -4.372   5.095   0.546  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1       -4.715   2.759   0.117  0.00  0.00    +0.097 C 
ATOM     36  C   LIG    1       -4.486   1.482   0.902  0.00  0.00    +0.027 C 
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7