REMARK  Name = BDB023357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.270   0.161   1.025  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.734  -0.141  -0.064  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -0.078  -0.414  -1.171  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        0.290  -0.590  -2.096  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.152  -0.196  -0.365  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        3.023   0.244   0.599  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        4.285   0.104   0.116  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        4.253  -0.423  -1.166  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        5.470  -0.640  -1.833  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.665  -0.311  -1.175  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        6.667   0.216   0.128  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        5.451   0.440   0.798  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1        2.878  -0.617  -1.469  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.968   0.584   0.799  0.00  0.00    +0.372 C 
ATOM     15  F   LIG    1        7.945   0.390   2.147  0.00  0.00    -0.204 F 
ATOM     16  F   LIG    1        9.028  -0.138   0.340  0.00  0.00    -0.204 F 
ENDBRANCH  11  14
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  S   LIG    1       -1.705  -0.743  -1.060  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -1.852  -1.742  -0.027  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.109  -1.001  -2.427  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.482   0.783  -0.581  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -3.747   0.778   0.039  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.294   2.018   0.425  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -3.621   3.218   0.190  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.386   3.207  -0.448  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -1.817   1.996  -0.838  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -4.550  -0.431   0.266  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -4.685  -0.970   1.555  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -5.463  -2.109   1.774  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.119  -2.721   0.708  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.999  -2.196  -0.576  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.221  -1.057  -0.796  0.00  0.00    +0.008 A 
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   3  17
TORSDOF 5