REMARK  Name = BDB015095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.299  -0.348  -1.895  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.106   0.372  -1.682  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.059   0.071  -2.387  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.038  -0.965  -3.323  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.130  -1.688  -3.556  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.289  -1.381  -2.846  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.846   0.583   0.334  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.644   0.359   1.001  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        3.489   0.061   0.271  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.519  -0.031  -1.131  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        4.747   0.184  -1.779  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        5.905   0.483  -1.053  0.00  0.00    +0.025 A 
BRANCH   7  13
ATOM     13  N   LIG    1        7.032   0.850   1.080  0.00  0.00    -0.221 N 
ATOM     14  H   LIG    1        6.885   1.388   1.936  0.00  0.00    +0.173 HD
BRANCH  13  16
ATOM     15  C   LIG    1        9.336  -0.249   0.259  0.00  0.00    +0.218 C 
ATOM     16  S   LIG    1        8.027  -0.472   1.443  0.00  0.00    +0.040 S 
ATOM     17  O   LIG    1        7.348  -1.716   1.163  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        8.574  -0.189   2.753  0.00  0.00    -0.155 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  O   LIG    1       -1.272   0.685  -2.256  0.00  0.00    -0.489 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.399   1.825  -1.402  0.00  0.00    +0.261 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.813   1.470   0.037  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -0.675   1.075   0.819  0.00  0.00    -0.387 OA
ATOM     23  H   LIG    1       -1.048   0.503   1.522  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.879   0.354   0.102  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.171  -0.049   1.501  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -3.984  -1.286   1.530  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.449  -1.094   1.197  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.071   0.157   1.362  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.437   0.297   1.083  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.186  -0.801   0.663  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.578  -2.045   0.516  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.260   1.359   1.777  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.217  -2.193   0.785  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -3.864   0.984   2.294  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 9