REMARK  Name = BDB023164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.479  -0.262  -1.549  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.139  -0.914  -2.242  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.652   0.344  -0.596  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.093   1.046   0.302  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.751   0.019  -0.767  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.622   0.430   0.213  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.870   0.024  -0.141  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.827  -0.653  -1.348  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.033  -1.146  -1.859  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.224  -0.943  -1.155  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.242  -0.244   0.061  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.057  -1.816  -3.019  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.035   0.246   0.592  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.464  -0.652  -1.749  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.454  -0.061   0.764  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.756   0.968   1.719  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.227   0.578   1.546  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.781  -0.035   0.215  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.103   0.055  -1.687  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.192   1.483  -1.874  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.591  -0.848  -2.711  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -2.534  -2.732  -0.300  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -3.413  -1.733   0.410  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -3.827  -0.476  -0.130  0.00  0.00    +0.115 A 
ATOM     25  C   LIG    1       -4.763   0.320   0.582  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -5.131  -0.103   1.884  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -4.659  -1.284   2.444  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.822  -2.100   1.704  0.00  0.00    +0.005 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -5.495   1.578   0.113  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -4.714   2.868   0.366  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -6.158   1.495  -1.266  0.00  0.00    +0.012 C 
ENDBRANCH  25  29
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5