REMARK  Name = BDB046266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.792   0.488  -0.463  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.145   0.894  -1.449  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.125  -0.037  -1.885  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -2.067   0.386  -2.856  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.048   1.675  -3.389  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.085   2.577  -2.970  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.122  -1.343  -1.326  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1       -0.181  -1.713  -0.363  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.146   2.192  -2.014  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.774  -0.802   0.066  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        1.808   1.371   0.013  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1        1.528   2.304   0.312  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1        3.297   1.384  -0.783  0.00  0.00    +0.072 S 
ATOM     14  O   LIG    1        3.098   1.097  -2.187  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1        3.965   2.596  -0.358  0.00  0.00    -0.150 OA
BRANCH  13  18
ATOM     16  C   LIG    1        5.292  -0.918   1.875  0.00  0.00    +0.122 A 
ATOM     17  C   LIG    1        4.623   0.147   1.271  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1        4.145   0.019  -0.036  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        4.346  -1.158  -0.758  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        5.015  -2.220  -0.154  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.484  -2.102   1.159  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.414  -1.721   3.813  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.701  -0.678   3.158  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  13  18
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   7  24
ATOM     24  N   LIG    1       -2.112  -2.308  -1.689  0.00  0.00    -0.216 N 
ATOM     25  H   LIG    1       -2.425  -2.343  -2.656  0.00  0.00    +0.174 HD
BRANCH  24  26
ATOM     26  S   LIG    1       -3.327  -2.704  -0.587  0.00  0.00    +0.072 S 
ATOM     27  O   LIG    1       -2.729  -3.252   0.611  0.00  0.00    -0.150 OA
ATOM     28  O   LIG    1       -4.313  -3.452  -1.340  0.00  0.00    -0.150 OA
BRANCH  26  29
ATOM     29  C   LIG    1       -4.047  -1.132  -0.177  0.00  0.00    +0.112 A 
ATOM     30  C   LIG    1       -3.545  -0.405   0.906  0.00  0.00    +0.074 A 
ATOM     31  C   LIG    1       -4.098   0.835   1.230  0.00  0.00    +0.122 A 
ATOM     32  C   LIG    1       -5.168   1.326   0.477  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -5.686   0.582  -0.588  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.130  -0.653  -0.917  0.00  0.00    +0.029 A 
BRANCH  31  35
ATOM     35  O   LIG    1       -3.507   1.462   2.292  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1       -4.042   2.721   2.677  0.00  0.00    +0.277 C 
ENDBRANCH  31  35
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   7  24
TORSDOF 8