REMARK  Name = BDB033456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.917  -0.972   1.297  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.332  -0.300   0.140  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.471  -0.945  -1.092  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        1.892   0.042  -2.030  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        2.008   1.241  -1.361  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        1.185  -2.324  -1.166  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.768  -3.005  -0.016  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        1.680   1.020  -0.049  0.00  0.00    -0.358 N 
ATOM      9  H   LIG    1        1.686   1.716   0.685  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1        0.630  -2.336   1.198  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.715  -0.254   2.518  0.00  0.00    -0.211 N 
ATOM     12  H   LIG    1        1.022  -0.791   3.332  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -0.900   0.205   2.837  0.00  0.00    +0.107 S 
ATOM     14  O   LIG    1       -0.852   1.057   4.006  0.00  0.00    -0.147 OA
ATOM     15  O   LIG    1       -1.734  -0.977   2.806  0.00  0.00    -0.147 OA
BRANCH  13  19
ATOM     16  C   LIG    1       -2.447   1.664  -1.878  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1       -2.102   1.886  -0.460  0.00  0.00    +0.195 A 
ATOM     18  O   LIG    1       -1.749   0.781   0.257  0.00  0.00    -0.422 OA
ATOM     19  C   LIG    1       -1.465   1.251   1.527  0.00  0.00    +0.281 A 
ATOM     20  C   LIG    1       -1.689   2.615   1.477  0.00  0.00    +0.182 A 
ATOM     21  N   LIG    1       -2.071   3.011   0.221  0.00  0.00    -0.220 NA
ENDBRANCH  13  19
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1        2.150  -0.149  -3.423  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        2.353  -0.306  -4.555  0.00  0.00    -0.191 NA
ENDBRANCH   4  22
TORSDOF 4