REMARK  Name = BDB023283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.423  -0.289  -1.722  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.663  -0.162  -0.739  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.094  -0.231  -2.152  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.221  -0.126  -3.329  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.857  -0.310  -1.059  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.172  -0.020  -1.329  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.873  -0.151  -0.172  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.029  -0.532   0.858  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.593  -0.717   2.125  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.963  -0.512   2.317  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.795  -0.115   1.258  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        1.828  -1.088   3.162  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.244   0.062  -0.024  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.737  -0.642   0.282  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.179   0.074   1.470  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.074   0.882   0.689  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.063   0.759   1.853  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.833   0.418   2.701  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.708  -0.109  -2.751  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -2.646   1.216  -3.331  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.764  -1.308  -3.561  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.575  -0.439  -3.900  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -5.439  -0.279  -2.408  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -4.191  -0.118  -1.748  0.00  0.00    +0.137 A 
ATOM     25  C   LIG    1       -4.093   0.046  -0.355  0.00  0.00    +0.098 A 
ATOM     26  C   LIG    1       -5.305   0.026   0.377  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.270   0.197   1.767  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -4.064   0.394   2.417  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.922   0.404   1.650  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -6.538  -0.160  -0.261  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1       -2.913   0.223   0.305  0.00  0.00    -0.253 NA
ATOM     32  C   LIG    1       -6.604  -0.313  -1.639  0.00  0.00    +0.006 A 
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 4