REMARK  Name = BDB023393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.249   0.105  -0.305  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.158  -0.541  -1.152  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.872  -1.168  -1.891  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.612   0.779   0.647  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.689  -0.301  -0.326  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        4.536   0.131   0.357  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        3.308  -0.106  -0.256  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.154  -0.733  -1.482  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.755  -0.765  -1.727  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        1.136  -0.162  -0.642  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        4.304  -1.162  -2.163  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1        2.096   0.240   0.252  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        5.559  -0.939  -1.573  0.00  0.00    +0.005 A 
BRANCH   5  15
ATOM     14  C   LIG    1        7.243  -0.825   1.592  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1        7.075  -0.085   0.262  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        7.391   1.404   0.423  0.00  0.00    +0.012 C 
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  S   LIG    1       -2.780  -0.181  -1.209  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -3.304  -1.060  -2.235  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.879   1.256  -1.323  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.462  -0.743   0.335  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -4.672  -0.208   0.819  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -5.143  -0.670   2.064  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.449  -1.637   2.794  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.270  -2.174   2.289  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.778  -1.734   1.061  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -5.496   0.764   0.088  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -5.546   2.107   0.490  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -6.343   3.028  -0.194  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.105   2.616  -1.286  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.070   1.285  -1.695  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.272   0.364  -1.012  0.00  0.00    +0.008 A 
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 5