REMARK  Name = BDB023228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.464   0.465   1.089  0.00  0.00    +0.192 A 
ATOM      2  O   LIG    1        0.590   0.844   0.295  0.00  0.00    -0.450 OA
ATOM      3  C   LIG    1        1.732   0.467   0.934  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        1.429  -0.157   2.136  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        2.488  -0.611   2.937  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        3.804  -0.417   2.482  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        4.087   0.207   1.255  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        3.026   0.672   0.461  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        0.014  -0.156   2.228  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -1.847   1.410  -0.568  0.00  0.00    -0.179 N 
ATOM     11  H   LIG    1       -0.976   1.620  -1.046  0.00  0.00    +0.177 HD
ATOM     12  C   LIG    1       -1.817   0.739   0.655  0.00  0.00    +0.298 C 
ATOM     13  O   LIG    1       -2.814   0.398   1.273  0.00  0.00    -0.265 OA
BRANCH  10  14
ATOM     14  S   LIG    1       -3.205   1.963  -1.330  0.00  0.00    +0.078 S 
ATOM     15  O   LIG    1       -2.726   2.481  -2.599  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -3.918   2.835  -0.426  0.00  0.00    -0.150 OA
BRANCH  14  18
ATOM     17  C   LIG    1       -5.252   0.086  -0.998  0.00  0.00    +0.147 A 
ATOM     18  C   LIG    1       -4.102   0.471  -1.699  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -3.614  -0.310  -2.763  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -4.259  -1.490  -3.121  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.392  -1.888  -2.423  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -5.886  -1.106  -1.372  0.00  0.00    +0.047 A 
BRANCH  17  23
ATOM     23  O   LIG    1       -5.685   0.896   0.006  0.00  0.00    -0.490 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -6.330  -0.414   1.947  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -6.780   0.518   0.835  0.00  0.00    +0.226 C 
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH  14  18
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   7  26
ATOM     26  N   LIG    1        5.424   0.393   0.839  0.00  0.00    -0.329 N 
ATOM     27  C   LIG    1        5.898   0.554  -0.508  0.00  0.00    +0.119 C 
ATOM     28  C   LIG    1        7.298   0.283   0.051  0.00  0.00    +0.127 C 
ATOM     29  C   LIG    1        6.568  -0.391   1.217  0.00  0.00    +0.119 C 
BRANCH  28  30
ATOM     30  C   LIG    1        8.157  -0.614  -0.773  0.00  0.00    +0.396 C 
ATOM     31  F   LIG    1        8.558   0.021  -1.897  0.00  0.00    -0.170 F 
ATOM     32  F   LIG    1        9.262  -0.973  -0.081  0.00  0.00    -0.170 F 
ATOM     33  F   LIG    1        7.511  -1.742  -1.140  0.00  0.00    -0.170 F 
ENDBRANCH  28  30
ENDBRANCH   7  26
TORSDOF 7