REMARK  Name = BDB003571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.924   1.008   0.180  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        2.124  -0.128   0.393  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.806  -0.190  -0.087  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.257   0.915  -0.739  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        1.047   2.049  -0.969  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.367   2.092  -0.515  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        5.293   0.113   0.283  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        4.315   1.058   0.674  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.691   2.081   1.567  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.992   2.166   2.063  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.941   1.227   1.677  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.595   0.203   0.793  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.893  -1.636  -1.228  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        4.881  -0.867  -0.590  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.120  -1.684   0.124  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -0.665  -1.638   1.467  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -0.972  -1.867  -1.033  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        1.052  -3.012   0.060  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.133   0.982  -1.231  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.177   1.079  -0.309  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1       -1.995   1.342   1.116  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -1.278   1.019  -2.451  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.542   1.181  -0.835  0.00  0.00    +0.111 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.567   0.261  -0.152  0.00  0.00    +0.011 C 
ATOM     25  C   LIG    1       -4.207  -1.224  -0.314  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -5.433  -2.132  -0.264  0.00  0.00    +0.160 C 
ATOM     27  O   LIG    1       -6.442  -1.561   0.563  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -7.004  -0.377  -0.003  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -5.973   0.508  -0.706  0.00  0.00    +0.033 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6