REMARK  Name = BDB023224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.669  -0.285   1.146  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.490  -0.014   0.185  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.383  -0.336   2.070  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.202  -0.447   3.274  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.693  -0.242   1.450  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.789  -0.244   2.277  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.899  -0.143   1.501  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.543  -0.071   0.166  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.572   0.047  -0.775  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.905   0.080  -0.352  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        6.240  -0.013   1.007  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.292   0.135  -2.082  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        5.214  -0.115   1.964  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.125  -0.140   0.136  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        7.592   0.026   1.418  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        8.745  -0.337   0.640  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        9.527  -0.396   1.963  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1       10.390  -1.429   2.109  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        8.143  -0.558   2.613  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -2.238  -0.006   1.631  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -2.709  -1.186   2.324  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.318   1.320   2.204  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.603   0.742  -1.013  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -3.131   0.076   0.091  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.394  -0.536   0.019  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -5.150  -0.505  -1.166  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -4.583   0.155  -2.274  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.325   0.764  -2.204  0.00  0.00    +0.048 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.540  -1.158  -1.281  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1       -6.511  -2.247  -2.375  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -7.024  -1.833   0.022  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -7.586  -0.087  -1.656  0.00  0.00    +0.015 C 
ENDBRANCH  26  29
BRANCH  23  33
ATOM     33  O   LIG    1       -1.347   1.285  -0.952  0.00  0.00    -0.490 OA
BRANCH  33  35
ATOM     34  C   LIG    1       -0.085   3.281  -0.616  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1       -1.364   2.701  -1.193  0.00  0.00    +0.226 C 
ENDBRANCH  33  35
ENDBRANCH  23  33
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7