REMARK  Name = BDB062617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.342  -0.988  -1.943  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.754  -1.271  -2.832  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.025   0.012  -1.199  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -2.398  -0.100  -0.977  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -3.074   0.856  -0.203  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.337   1.917   0.348  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.962   2.024   0.127  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.305   1.068  -0.644  0.00  0.00    +0.024 A 
BRANCH   5   9
ATOM      9  C   LIG    1       -4.517   0.729   0.048  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -5.472   1.563  -0.581  0.00  0.00    -0.040 A 
ATOM     11  C   LIG    1       -5.069   2.638  -1.555  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.835   1.400  -0.278  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -7.244   0.417   0.615  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1       -8.547   0.274   0.887  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -6.322  -0.418   1.228  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -4.965  -0.262   0.945  0.00  0.00    +0.011 A 
ENDBRANCH   5   9
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  S   LIG    1        0.225  -2.343  -1.102  0.00  0.00    +0.072 S 
ATOM     18  O   LIG    1       -0.704  -2.682  -0.046  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        0.593  -3.314  -2.111  0.00  0.00    -0.150 OA
BRANCH  17  26
ATOM     20  C   LIG    1        5.176  -0.067   3.589  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        5.955   0.022   2.309  0.00  0.00    +0.217 C 
ATOM     22  N   LIG    1        5.381  -0.393   1.127  0.00  0.00    -0.271 N 
ATOM     23  C   LIG    1        4.085  -0.835   0.802  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        4.035  -1.168  -0.559  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        2.874  -1.632  -1.164  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        1.730  -1.744  -0.373  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1        1.763  -1.423   0.992  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        5.367  -0.999  -1.218  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1        2.947  -0.960   1.583  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1        6.182  -0.341  -0.106  0.00  0.00    +0.118 C 
ATOM     31  O   LIG    1        7.110   0.463   2.340  0.00  0.00    -0.276 OA
ENDBRANCH  17  26
ENDBRANCH   1  17
TORSDOF 4