REMARK  Name = BDB045603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.090  -3.953  -0.267  0.00  0.00    +0.303 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.218  -3.107  -0.505  0.00  0.00    -0.390 OA
BRANCH   2   5
ATOM      3  C   LIG    1       -2.480  -1.637  -3.599  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -2.167  -1.910  -2.145  0.00  0.00    +0.084 C 
ATOM      5  N   LIG    1       -1.353  -2.892  -1.885  0.00  0.00    -0.089 NA
BRANCH   4   6
ATOM      6  C   LIG    1       -2.819  -1.027  -1.143  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -2.046  -0.349  -0.198  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.663   0.497   0.727  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -4.056   0.681   0.723  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -4.814  -0.006  -0.241  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -4.204  -0.852  -1.172  0.00  0.00    +0.010 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.706   1.560   1.708  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -5.521   2.629   1.298  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -6.141   3.462   2.234  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.961   3.233   3.596  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.161   2.176   4.023  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.535   1.349   3.086  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
ENDBRANCH   4   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.194  -3.127  -0.273  0.00  0.00    +0.272 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.197  -2.274   0.878  0.00  0.00    -0.488 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.242  -1.403   1.011  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.331  -1.286   0.144  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.346  -0.345   0.394  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        4.255   0.476   1.524  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        3.169   0.361   2.390  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        2.167  -0.573   2.131  0.00  0.00    +0.045 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.504  -0.203  -0.572  0.00  0.00    +0.059 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.185   0.783  -1.698  0.00  0.00    +0.146 C 
ATOM     28  C   LIG    1        5.704   2.181  -1.409  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        5.644   2.760  -0.333  0.00  0.00    -0.274 OA
ATOM     30  N   LIG    1        6.273   2.745  -2.511  0.00  0.00    -0.246 N 
ATOM     31  H   LIG    1        6.711   3.651  -2.438  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        6.666   1.916  -3.506  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1        7.414   2.213  -4.421  0.00  0.00    -0.263 OA
ATOM     34  S   LIG    1        6.020   0.315  -3.258  0.00  0.00    -0.054 S 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9