REMARK  Name = BDB048785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.209   2.162   0.336  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.976   2.870  -0.319  0.00  0.00    +0.097 C 
BRANCH   2   7
ATOM      3  C   LIG    1       -3.888   0.738  -0.586  0.00  0.00    +0.109 A 
ATOM      4  S   LIG    1       -3.385   0.241  -2.157  0.00  0.00    -0.072 S 
ATOM      5  C   LIG    1       -2.007   1.251  -2.055  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.028   1.300  -3.175  0.00  0.00    +0.053 C 
ATOM      7  C   LIG    1       -1.999   1.905  -0.837  0.00  0.00    +0.055 A 
ATOM      8  N   LIG    1       -3.076   1.609  -0.015  0.00  0.00    -0.244 NA
BRANCH   3  12
ATOM      9  C   LIG    1       -7.480  -0.665   1.351  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -6.698   0.345   1.911  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.537   0.786   1.268  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -5.125   0.232   0.046  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -5.921  -0.786  -0.504  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -7.086  -1.230   0.140  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.415  -2.030   1.547  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -8.586  -1.003   2.078  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   3  12
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        1.076   1.667  -0.690  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.185   0.972  -0.292  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.971   0.489  -1.343  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        4.122  -0.225  -1.049  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        5.070  -0.864  -2.014  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        6.295  -1.081  -1.117  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        5.758  -1.309   0.316  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        4.503  -0.473   0.274  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1        3.722  -0.015   1.323  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        2.563   0.718   1.035  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.754  -0.888   1.396  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.967  -1.786   1.433  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        8.084  -2.841   0.833  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.939  -1.304   2.242  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        8.716  -0.457   2.671  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9