REMARK  Name = BDB046188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.304  -0.298  -0.138  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1       -3.486  -0.246   0.728  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -4.521   0.528   1.269  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -4.465   1.892   1.486  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -5.736   2.212   2.037  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1       -6.508   1.116   2.138  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1       -3.290   2.580   1.147  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.223   1.851   0.601  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1       -5.742   0.069   1.659  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1       -2.312   0.468   0.392  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -6.226   3.555   2.449  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1       -5.226   4.321   2.970  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1       -6.727   4.255   1.396  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1       -7.202   3.512   3.393  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1       -3.619  -1.731   0.504  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.266  -1.666  -1.444  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -3.896  -2.114  -0.953  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1       -0.079   0.343  -0.483  0.00  0.00    +0.230 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.881  -0.702  -1.050  0.00  0.00    +0.052 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.183  -1.800  -0.030  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  S   LIG    1        2.364  -3.030  -0.689  0.00  0.00    -0.124 S 
BRANCH  21  22
ATOM     22  C   LIG    1        3.884  -2.088  -0.582  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        4.547  -1.563  -1.702  0.00  0.00    +0.055 A 
ATOM     24 CL   LIG    1        3.947  -1.759  -3.314  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.733  -0.834  -1.546  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        6.285  -0.628  -0.274  0.00  0.00    -0.035 A 
ATOM     27  C   LIG    1        5.629  -1.160   0.842  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.445  -1.887   0.687  0.00  0.00    +0.016 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.549   0.183  -0.108  0.00  0.00    +0.155 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.298   1.656   0.109  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        6.228   2.236   0.182  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.452   2.347   0.229  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        8.161   3.274   0.362  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12