REMARK  Name = BDB009170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.607  -1.284  -0.019  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.430  -1.589   0.678  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.675  -2.144   0.013  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.564  -2.427  -1.356  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.611  -2.138  -2.052  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.697  -1.567  -1.387  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.875  -0.896   1.935  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.747  -0.690   0.734  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        3.602   0.112   0.009  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        3.288   0.472  -0.881  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.639   0.855   0.686  0.00  0.00    +0.147 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.568   1.405  -0.347  0.00  0.00    +0.007 A 
ATOM     13  S   LIG    1        5.288   2.952  -1.030  0.00  0.00    -0.100 S 
ATOM     14  C   LIG    1        6.671   2.832  -2.027  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1        7.334   1.639  -1.852  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        6.697   0.813  -0.881  0.00  0.00    +0.013 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -1.942  -2.490   0.762  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.493  -1.343   1.605  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.349  -0.296   0.964  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.658  -0.343  -0.506  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -4.285   0.949  -1.040  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.340   1.488  -0.084  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.738   1.768   1.294  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.825   0.671   1.768  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.465   0.688   3.208  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -3.864   1.568   3.963  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -2.665  -0.336   3.636  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -2.402  -0.343   4.616  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -2.182  -1.348   2.868  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5