REMARK  Name = BDB033745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.956  -1.004  -0.415  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -1.697  -2.204  -1.063  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1       -0.372  -2.500  -1.281  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1        0.645  -1.703  -0.904  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.327  -0.566  -0.275  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -0.941  -0.204  -0.017  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.287  -0.593   2.327  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -3.440   0.256   1.061  0.00  0.00    +0.072 C 
ATOM      9  N   LIG    1       -3.279  -0.601  -0.140  0.00  0.00    -0.311 N 
ATOM     10  C   LIG    1       -4.012  -0.172  -1.352  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -4.214   1.339  -1.371  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -5.019   1.813  -0.163  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1       -4.835   0.903   1.052  0.00  0.00    +0.022 C 
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1       -2.708  -3.122  -1.466  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -3.503  -3.887  -1.829  0.00  0.00    -0.191 NA
ENDBRANCH   2  14
BRANCH   5  16
ATOM     16  N   LIG    1        1.293   0.329   0.173  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        0.830   1.114   0.608  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.686   0.395   0.061  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        3.458  -0.544  -0.634  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        4.853  -0.438  -0.694  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        5.492   0.613  -0.037  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        4.752   1.565   0.659  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.359   1.447   0.708  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        7.258   0.739  -0.115  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1        7.649   2.038   0.383  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        7.697   0.230  -1.392  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        7.726  -0.358   1.074  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1        6.956  -0.926   1.425  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        8.198   0.150   1.824  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 6