REMARK  Name = BDB023251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.209  -0.115   1.164  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -1.208   0.363   0.654  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.231   1.469  -0.197  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.370   1.779  -0.640  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.126  -0.168   0.824  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.176   0.421   0.163  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.302  -0.270   0.496  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.991  -1.306   1.364  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.040  -2.123   1.800  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.346  -1.876   1.363  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.636  -0.812   0.495  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.807  -3.147   2.632  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.589   0.009   0.038  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.590  -1.236   1.571  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.959  -0.587   0.056  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.522   0.651  -0.407  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.895  -0.004  -0.223  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.173  -0.967   0.725  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.553   2.406  -0.512  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.080   2.910   0.734  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.119   3.333  -1.540  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.688   1.280  -1.290  0.00  0.00    +0.154 A 
ATOM     23  C   LIG    1       -4.789   0.735  -0.617  0.00  0.00    +0.196 A 
ATOM     24  O   LIG    1       -4.984   1.041   0.701  0.00  0.00    -0.419 OA
ATOM     25  C   LIG    1       -5.919   0.179   1.345  0.00  0.00    +0.509 C 
ATOM     26  C   LIG    1       -7.139  -0.113   0.466  0.00  0.00    +0.509 C 
ATOM     27  O   LIG    1       -6.785  -0.687  -0.791  0.00  0.00    -0.421 OA
ATOM     28  F   LIG    1       -7.855   1.015   0.206  0.00  0.00    -0.155 F 
ATOM     29  F   LIG    1       -7.997  -0.977   1.072  0.00  0.00    -0.155 F 
ATOM     30  F   LIG    1       -5.266  -0.968   1.679  0.00  0.00    -0.155 F 
ATOM     31  F   LIG    1       -6.282   0.769   2.515  0.00  0.00    -0.155 F 
ATOM     32  C   LIG    1       -5.660  -0.111  -1.324  0.00  0.00    +0.171 A 
ATOM     33  C   LIG    1       -5.415  -0.429  -2.663  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1       -4.318   0.115  -3.323  0.00  0.00    +0.006 A 
ATOM     35  C   LIG    1       -3.460   0.976  -2.643  0.00  0.00    +0.033 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4