REMARK  Name = BDB041483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.919  -2.689   0.360  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -1.075  -2.968  -0.598  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.092  -1.815   0.768  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.228  -1.425   1.918  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.038  -1.377  -0.296  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.326  -0.980   0.091  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        3.285  -0.557  -0.852  0.00  0.00    -0.036 A 
ATOM      8  C   LIG    1        2.937  -0.537  -2.221  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        1.637  -0.932  -2.598  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.697  -1.347  -1.649  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.658  -0.173  -0.331  0.00  0.00    +0.107 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.603  -1.358  -0.221  0.00  0.00    +0.345 C 
ATOM     13  F   LIG    1        6.835  -0.919   0.147  0.00  0.00    -0.209 F 
ATOM     14  F   LIG    1        5.188  -2.196   0.763  0.00  0.00    -0.209 F 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH   8  15
ATOM     15  C   LIG    1        3.889  -0.093  -3.315  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  N   LIG    1        4.025   1.356  -3.391  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1        5.252   1.913  -3.306  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1        5.018   3.221  -3.443  0.00  0.00    +0.134 A 
ATOM     19  C   LIG    1        3.655   3.503  -3.642  0.00  0.00    +0.041 A 
ATOM     20  C   LIG    1        3.037   2.275  -3.618  0.00  0.00    +0.108 A 
ENDBRANCH  15  16
ENDBRANCH   8  15
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1       -2.158  -3.199   1.366  0.00  0.00    +0.096 S 
ATOM     22  O   LIG    1       -1.543  -3.875   2.490  0.00  0.00    -0.148 OA
ATOM     23  O   LIG    1       -3.078  -3.898   0.488  0.00  0.00    -0.148 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -3.598  -1.592   3.103  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1       -2.953  -1.684   1.881  0.00  0.00    +0.239 A 
ATOM     26  N   LIG    1       -2.814  -0.662   0.974  0.00  0.00    -0.228 NA
ATOM     27  C   LIG    1       -3.332   0.545   1.305  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.019   0.718   2.507  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -4.154  -0.353   3.402  0.00  0.00    +0.051 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -3.143   1.671   0.282  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -3.468   3.077   0.829  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1       -4.060   1.393  -0.924  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -1.675   1.689  -0.194  0.00  0.00    +0.017 C 
ENDBRANCH  27  30
BRANCH  24  35
ATOM     34  C   LIG    1       -3.859  -2.462   5.289  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -3.712  -2.695   3.893  0.00  0.00    -0.492 OA
ENDBRANCH  24  35
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 9