REMARK  Name = BDB023221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.157  -3.404  -1.514  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.155  -2.407  -0.880  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.474  -2.122  -0.509  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -1.730  -1.163  -0.267  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.785  -1.393  -0.436  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.084  -1.488  -0.871  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.777  -0.445  -0.342  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.943   0.335   0.441  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.499   1.461   1.059  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.853   1.759   0.879  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.680   0.945   0.090  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        1.741   2.263   1.821  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.131  -0.182  -0.548  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.665  -0.280   0.383  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.043   1.271  -0.091  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        6.881   2.024   0.801  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        8.084   1.470   0.020  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        9.151   1.074   0.754  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        7.111   0.368  -0.429  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  S   LIG    1       -2.769  -2.933  -1.168  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1       -2.839  -2.626  -2.581  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.770  -4.287  -0.660  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.154  -2.087  -0.422  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1       -4.153  -0.684  -0.274  0.00  0.00    +0.057 A 
ATOM     25  N   LIG    1       -3.077   0.096  -0.775  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -3.139   0.056  -1.804  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -3.050   1.500  -0.343  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -4.422   2.135  -0.465  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -5.381   1.416   0.471  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -5.285  -0.081   0.312  0.00  0.00    -0.025 A 
ATOM     31  C   LIG    1       -6.342  -0.875   0.788  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -6.308  -2.261   0.657  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -5.217  -2.870   0.049  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 4