REMARK  Name = BDB048341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.278  -2.677  -1.631  0.00  0.00    +0.234 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.655  -2.718  -0.546  0.00  0.00    -0.476 OA
BRANCH   2   6
ATOM      3  C   LIG    1        4.324  -0.971  -1.336  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.311  -1.065  -2.289  0.00  0.00    +0.125 A 
ATOM      5  N   LIG    1        2.092  -1.624  -2.074  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        1.864  -2.123  -0.841  0.00  0.00    +0.215 A 
ATOM      7  C   LIG    1        2.800  -2.098   0.177  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        4.042  -1.518  -0.078  0.00  0.00    +0.017 A 
BRANCH   3  13
ATOM      9  C   LIG    1        7.543   0.916  -2.430  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1        7.804   0.103  -1.338  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        9.105  -0.073  -0.637  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1        6.710  -0.606  -0.864  0.00  0.00    -0.243 NA
ATOM     13  C   LIG    1        5.638  -0.368  -1.594  0.00  0.00    +0.111 A 
ATOM     14  S   LIG    1        5.891   0.761  -2.865  0.00  0.00    -0.064 S 
BRANCH   9  16
ATOM     15  C   LIG    1        7.938   2.659  -4.258  0.00  0.00    +0.092 C 
ATOM     16  C   LIG    1        8.468   1.782  -3.146  0.00  0.00    +0.168 C 
ATOM     17  O   LIG    1        9.669   1.835  -2.872  0.00  0.00    -0.292 OA
ENDBRANCH   9  16
ENDBRANCH   3  13
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.549  -3.407  -1.202  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.282  -2.690  -0.069  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.784  -1.449  -0.562  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.537  -0.696   0.298  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -4.111   0.442  -0.277  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.898   1.267   0.512  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -5.573   2.538   0.106  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -6.600   2.687   1.234  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -5.954   2.073   2.499  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1       -5.110   0.993   1.867  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -4.526  -0.118   2.452  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -3.746  -0.970   1.658  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.022   1.601   3.486  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.471   1.371   4.867  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -5.385   1.710   5.304  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -7.358   0.737   5.661  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -6.898   0.662   6.523  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11