REMARK  Name = BDB033438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.116   0.603   1.740  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.934   1.012   0.680  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -2.926   0.200   0.119  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -3.516   0.959  -0.941  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -2.890   2.187  -0.990  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -3.137  -1.095   0.663  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -4.172  -2.054   0.136  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.356  -1.478   1.772  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1       -1.946   2.211  -0.002  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -1.332   2.987   0.212  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.379  -0.640   2.310  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.176   1.538   2.275  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1       -0.503   1.951   3.151  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.429   1.032   2.513  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1        2.176   2.233   2.821  0.00  0.00    -0.149 OA
ATOM     16  O   LIG    1        1.421  -0.093   3.422  0.00  0.00    -0.149 OA
BRANCH  14  19
ATOM     17  C   LIG    1        3.553  -0.592  -0.635  0.00  0.00    +0.080 A 
ATOM     18  S   LIG    1        3.563  -0.426   1.077  0.00  0.00    -0.052 S 
ATOM     19  C   LIG    1        2.096   0.454   0.995  0.00  0.00    +0.165 A 
ATOM     20  C   LIG    1        1.709   0.575  -0.321  0.00  0.00    +0.147 A 
ATOM     21  N   LIG    1        2.535  -0.027  -1.251  0.00  0.00    -0.250 NA
BRANCH  17  23
ATOM     22  C   LIG    1        5.745  -0.392  -1.808  0.00  0.00    +0.011 C 
ATOM     23  C   LIG    1        4.649  -1.334  -1.333  0.00  0.00    +0.059 C 
ENDBRANCH  17  23
ENDBRANCH  14  19
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1       -4.576   0.563  -1.816  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -5.438   0.243  -2.524  0.00  0.00    -0.191 NA
ENDBRANCH   4  24
TORSDOF 5