REMARK  Name = BDB033482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.085  -2.825  -1.625  0.00  0.00    +0.096 S 
ATOM      2  O   LIG    1       -0.425  -3.738  -2.535  0.00  0.00    -0.148 OA
ATOM      3  O   LIG    1       -1.673  -3.323  -0.393  0.00  0.00    -0.148 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1        2.055  -0.544  -0.151  0.00  0.00    +0.095 A 
ATOM      5  S   LIG    1        1.353  -2.115  -0.073  0.00  0.00    -0.042 S 
ATOM      6  C   LIG    1        0.139  -1.619  -1.165  0.00  0.00    +0.236 A 
ATOM      7  N   LIG    1        0.211  -0.372  -1.594  0.00  0.00    -0.228 NA
ATOM      8  C   LIG    1        1.300   0.241  -1.002  0.00  0.00    +0.133 A 
BRANCH   4  11
ATOM      9  N   LIG    1        3.855   0.963   0.336  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1        3.554   1.512  -0.455  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        3.244  -0.245   0.624  0.00  0.00    +0.252 C 
ATOM     12  O   LIG    1        3.714  -0.995   1.477  0.00  0.00    -0.270 OA
BRANCH   9  13
ATOM     13  C   LIG    1        5.079   1.364   1.006  0.00  0.00    +0.132 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.318   0.632   0.480  0.00  0.00    +0.178 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.827   0.713   2.310  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1        7.522   1.193   1.006  0.00  0.00    -0.381 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  N   LIG    1       -2.325  -2.088  -2.514  0.00  0.00    -0.212 N 
ATOM     18  H   LIG    1       -2.953  -2.799  -2.889  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.003  -0.966  -1.950  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1       -3.780  -1.000  -0.783  0.00  0.00    +0.071 A 
ATOM     21  C   LIG    1       -4.528   0.102  -0.340  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -5.182  -0.307   0.866  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -4.820  -1.609   1.129  0.00  0.00    +0.102 A 
ATOM     24  C   LIG    1       -4.505   1.303  -1.100  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1       -5.267   2.542  -0.710  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -3.740   1.323  -2.282  0.00  0.00    +0.006 A 
ATOM     27  N   LIG    1       -3.976  -2.014   0.133  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -3.488  -2.905   0.103  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1       -3.018   0.209  -2.701  0.00  0.00    +0.027 A 
BRANCH  22  30
ATOM     30  C   LIG    1       -6.059   0.465   1.692  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -6.771   1.093   2.359  0.00  0.00    -0.191 NA
ENDBRANCH  22  30
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8