REMARK  Name = BDB033712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.968   0.047   0.415  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.085   0.222  -0.297  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.895   1.235   0.071  0.00  0.00    +0.237 A 
ATOM      4  C   LIG    1       -2.600   2.125   1.076  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -1.428   1.867   1.739  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1       -0.609   0.840   1.431  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.183  -1.017   0.021  0.00  0.00    -0.310 N 
ATOM      8  H   LIG    1       -0.541  -1.292  -0.888  0.00  0.00    +0.149 HD
BRANCH   7  12
ATOM      9  N   LIG    1        3.849   0.029   0.864  0.00  0.00    -0.181 NA
ATOM     10  C   LIG    1        3.311  -1.152   1.569  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        1.787  -1.105   1.553  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1        1.274  -0.961   0.118  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1        1.886   0.253  -0.584  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        3.410   0.168  -0.541  0.00  0.00    +0.111 C 
BRANCH   9  15
ATOM     15  S   LIG    1        5.335   0.656   1.334  0.00  0.00    +0.034 S 
ATOM     16  O   LIG    1        5.305   0.762   2.780  0.00  0.00    -0.158 OA
ATOM     17  O   LIG    1        5.619   1.828   0.534  0.00  0.00    -0.158 OA
BRANCH  15  18
ATOM     18  C   LIG    1        6.549  -0.600   0.964  0.00  0.00    +0.213 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.448  -1.254  -0.396  0.00  0.00    +0.183 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.730   0.257  -1.723  0.00  0.00    +0.194 C 
ATOM     21  O   LIG    1        6.471  -0.367  -1.507  0.00  0.00    -0.381 OA
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -3.418   3.237   1.412  0.00  0.00    +0.106 C 
ATOM     23  N   LIG    1       -4.084   4.141   1.706  0.00  0.00    -0.191 NA
ENDBRANCH   4  22
BRANCH   3  24
ATOM     24  O   LIG    1       -4.000   1.405  -0.728  0.00  0.00    -0.469 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -5.174   0.834  -0.138  0.00  0.00    +0.206 C 
ATOM     26  C   LIG    1       -5.354  -0.682  -0.371  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -4.910  -1.163  -1.755  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1       -6.861  -0.849  -0.159  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1       -7.491   0.383  -0.796  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -6.403   1.456  -0.811  0.00  0.00    +0.047 C 
BRANCH  26  31
ATOM     31  O   LIG    1       -4.668  -1.418   0.640  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -4.584  -2.340   0.344  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 10