REMARK  Name = BDB037916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096   0.916   0.825  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -0.220   2.224   1.426  0.00  0.00    +0.002 A 
ATOM      3  C   LIG    1        0.790   3.083   0.982  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.877   4.417   1.429  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.066   4.888   2.344  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.073   4.055   2.808  0.00  0.00    +0.001 A 
ATOM      7  S   LIG    1        1.844   2.300  -0.130  0.00  0.00    -0.083 S 
ATOM      8  C   LIG    1       -1.156   2.733   2.362  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.985   0.835  -0.032  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  19
ATOM     10  O   LIG    1       -3.978  -1.924  -4.074  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.065  -1.395  -2.979  0.00  0.00    +0.220 C 
ATOM     12  N   LIG    1       -5.221  -0.927  -2.427  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.109  -0.984  -2.901  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -5.078  -0.377  -1.192  0.00  0.00    +0.229 C 
ATOM     15  O   LIG    1       -6.007   0.104  -0.557  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -3.576  -0.488  -0.802  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1       -2.884   0.784  -0.269  0.00  0.00    +0.126 C 
ATOM     18  N   LIG    1       -2.280  -0.071   0.748  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -0.951  -0.238   1.066  0.00  0.00    +0.249 C 
ATOM     20  O   LIG    1       -0.493  -1.288   1.507  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -3.253  -1.141   0.559  0.00  0.00    +0.126 C 
ATOM     22  C   LIG    1       -2.920  -1.144  -2.024  0.00  0.00    +0.115 C 
ENDBRANCH   1  19
BRANCH   9  23
ATOM     23  C   LIG    1        1.333  -0.294  -0.873  0.00  0.00    +0.254 C 
ATOM     24  N   LIG    1        2.635  -0.751  -0.797  0.00  0.00    -0.296 N 
ATOM     25  C   LIG    1        3.083  -2.071  -1.266  0.00  0.00    +0.121 C 
ATOM     26  C   LIG    1        4.138  -1.969  -0.215  0.00  0.00    +0.049 C 
ATOM     27  C   LIG    1        4.438  -3.137   0.663  0.00  0.00    +0.172 C 
ATOM     28  O   LIG    1        5.852  -3.049   0.318  0.00  0.00    -0.378 OA
ATOM     29  C   LIG    1        5.578  -1.960  -0.611  0.00  0.00    +0.172 C 
ATOM     30  C   LIG    1        3.530  -0.737   0.370  0.00  0.00    +0.121 C 
ATOM     31  O   LIG    1        0.503  -0.831  -1.607  0.00  0.00    -0.269 OA
ENDBRANCH   9  23
TORSDOF 2