REMARK  Name = BDB032610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.209   1.855   2.365  0.00  0.00    +0.083 S 
ATOM      2  O   LIG    1        0.049   0.697   3.200  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.660   3.063   3.032  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.401   1.409   1.104  0.00  0.00    +0.191 A 
ATOM      5  C   LIG    1       -2.288   2.373   0.604  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -3.239   2.029  -0.364  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -3.350   0.716  -0.831  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1       -2.461  -0.243  -0.318  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -1.482   0.085   0.635  0.00  0.00    +0.151 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -4.354   0.355  -1.844  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -5.720   0.603  -1.628  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -6.674   0.260  -2.589  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.278  -0.336  -3.784  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.929  -0.589  -4.018  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.975  -0.247  -3.055  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
BRANCH   5  16
ATOM     16  O   LIG    1       -2.175   3.697   0.934  0.00  0.00    -0.493 OA
ATOM     17  C   LIG    1       -3.277   4.129   1.737  0.00  0.00    +0.277 C 
ENDBRANCH   5  16
BRANCH   9  18
ATOM     18  O   LIG    1       -0.580  -0.823   1.113  0.00  0.00    -0.493 OA
ATOM     19  C   LIG    1       -0.610  -2.151   0.607  0.00  0.00    +0.277 C 
ENDBRANCH   9  18
ENDBRANCH   1   4
BRANCH   1  20
ATOM     20  N   LIG    1        1.182   2.248   1.449  0.00  0.00    -0.186 N 
ATOM     21  C   LIG    1        1.076   3.492   0.653  0.00  0.00    +0.159 C 
BRANCH  20  25
ATOM     22  C   LIG    1        3.242  -0.610   0.756  0.00  0.00    +0.173 A 
ATOM     23  O   LIG    1        3.260   0.088  -0.413  0.00  0.00    -0.353 OA
ATOM     24  N   LIG    1        2.514   1.244  -0.280  0.00  0.00    -0.061 NA
ATOM     25  C   LIG    1        2.005   1.218   0.958  0.00  0.00    +0.183 A 
ATOM     26  C   LIG    1        2.463   0.079   1.656  0.00  0.00    +0.098 A 
BRANCH  22  28
ATOM     27  C   LIG    1        5.117  -2.142   0.020  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        3.966  -1.880   0.797  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1        3.490  -2.887   1.660  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        4.124  -4.126   1.745  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.249  -4.380   0.970  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.745  -3.394   0.115  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1        6.692  -1.380  -1.616  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        5.579  -1.123  -0.773  0.00  0.00    -0.494 OA
ENDBRANCH  27  34
ENDBRANCH  22  28
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 8