REMARK  Name = BDB015406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.605   1.789   1.984  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1        1.290   2.243   3.181  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.276   2.695   1.276  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1        6.148  -0.149  -1.465  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        4.844   0.109  -1.897  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        3.841   0.503  -0.996  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        4.161   0.638   0.374  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        3.164   1.029   1.280  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        1.861   1.267   0.831  0.00  0.00    +0.109 A 
ATOM     10  C   LIG    1        1.546   1.161  -0.524  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        5.473   0.380   0.798  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.532   0.772  -1.431  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        6.459  -0.011  -0.115  0.00  0.00    +0.046 A 
BRANCH   4  15
ATOM     14  C   LIG    1        8.358  -0.782  -2.073  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        7.014  -0.523  -2.456  0.00  0.00    -0.495 OA
ENDBRANCH   4  15
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  N   LIG    1       -0.181   0.348   2.366  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.935  -0.462   1.500  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1       -0.929  -1.722   1.796  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1       -0.166  -1.860   3.059  0.00  0.00    +0.166 C 
ATOM     20  C   LIG    1        0.509  -0.519   3.332  0.00  0.00    +0.158 C 
BRANCH  17  21
ATOM     21  N   LIG    1       -1.575   0.115   0.440  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1       -2.679   1.054   0.739  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -4.026   0.310   0.893  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -4.415  -0.567  -0.242  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1       -3.262  -1.458  -0.537  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -1.903  -0.745  -0.714  0.00  0.00    +0.123 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -4.787   0.235  -1.429  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1       -6.175   0.907  -1.214  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -6.839  -0.348  -1.807  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.495  -0.661  -2.487  0.00  0.00    +0.019 C 
ENDBRANCH  24  27
ENDBRANCH  17  21
ENDBRANCH   1  16
TORSDOF 5