REMARK  Name = BDB058874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.024  -1.160  -2.722  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.372  -1.040  -1.565  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.499  -0.968  -0.494  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.205  -0.646   0.426  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.825  -0.985  -1.258  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.334  -0.268  -0.166  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.716  -0.245   0.080  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.579  -0.932  -0.784  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.075  -1.631  -1.881  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.702  -1.654  -2.120  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.261   0.504   1.207  0.00  0.00    -0.011 A 
ATOM     12  C   LIG    1       -3.724   0.412   2.478  0.00  0.00    +0.053 A 
ATOM     13  S   LIG    1       -4.556   1.382   3.617  0.00  0.00    -0.104 S 
ATOM     14  C   LIG    1       -5.653   1.933   2.429  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -5.390   1.387   1.191  0.00  0.00    +0.016 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        1.962  -0.650  -0.845  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.087  -0.678  -1.870  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.471   0.885  -0.280  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        1.632   1.218   0.856  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.573   1.751  -1.433  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.099   0.514   0.309  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        5.209   0.799  -0.491  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.489   0.523  -0.010  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.655  -0.025   1.264  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.543  -0.296   2.063  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.259  -0.023   1.590  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5