REMARK  Name = BDB048351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.298  -2.953  -1.733  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.531  -3.893  -0.863  0.00  0.00    +0.234 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.079  -3.229   0.278  0.00  0.00    -0.476 OA
BRANCH   3   7
ATOM      4  C   LIG    1        4.658  -1.222  -0.294  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        4.000  -1.906  -1.315  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        2.829  -2.580  -1.172  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        2.274  -2.579   0.054  0.00  0.00    +0.215 A 
ATOM      8  C   LIG    1        2.835  -1.936   1.143  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        4.038  -1.254   0.963  0.00  0.00    +0.017 A 
BRANCH   4  12
ATOM     10  C   LIG    1        7.718   0.705   0.071  0.00  0.00    +0.223 A 
ATOM     11  N   LIG    1        6.563   0.104   0.526  0.00  0.00    -0.205 NA
ATOM     12  C   LIG    1        5.927  -0.496  -0.464  0.00  0.00    +0.114 A 
ATOM     13  S   LIG    1        6.710  -0.355  -1.996  0.00  0.00    -0.072 S 
ATOM     14  C   LIG    1        7.961   0.560  -1.275  0.00  0.00    +0.114 A 
BRANCH  10  15
ATOM     15  O   LIG    1        8.593   1.406   0.830  0.00  0.00    -0.476 OA
BRANCH  15  17
ATOM     16  C   LIG    1        7.267   2.619   2.466  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        8.227   1.469   2.208  0.00  0.00    +0.227 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   4  12
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.402  -2.259  -0.940  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.180  -1.488  -1.857  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.231  -0.779  -1.339  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -3.610  -0.743   0.005  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -4.710   0.025   0.362  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -5.276   0.228   1.732  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -6.669   0.779   1.395  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -6.541   1.542   0.055  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -5.420   0.768  -0.588  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -5.055   0.740  -1.922  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.956  -0.040  -2.291  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -6.193   3.015   0.277  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.214   3.819  -0.992  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -5.339   4.575  -1.380  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.365   3.703  -1.682  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -7.242   4.307  -2.444  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12