REMARK  Name = BDB033507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.597  -2.433   1.139  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        2.323  -3.150   1.100  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.075  -1.129   0.811  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        2.494  -0.727  -0.466  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        3.052   0.535  -0.705  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        3.352   0.606  -2.096  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        2.971  -0.586  -2.671  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        3.202   1.427   0.378  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.807   1.030   1.659  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1        2.454  -1.379  -1.682  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1        2.018  -2.286  -1.824  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        2.265  -0.235   1.870  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1        3.933   1.708  -2.798  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        4.404   2.607  -3.361  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        0.191  -3.005   0.401  0.00  0.00    +0.080 S 
ATOM     16  O   LIG    1        0.408  -3.043  -1.032  0.00  0.00    -0.149 OA
ATOM     17  O   LIG    1       -0.176  -4.210   1.113  0.00  0.00    -0.149 OA
BRANCH  15  20
ATOM     18  C   LIG    1       -2.636   0.016   0.617  0.00  0.00    +0.111 A 
ATOM     19  S   LIG    1       -1.299  -0.527  -0.322  0.00  0.00    -0.049 S 
ATOM     20  C   LIG    1       -1.120  -1.876   0.714  0.00  0.00    +0.165 A 
ATOM     21  C   LIG    1       -2.092  -1.839   1.689  0.00  0.00    +0.148 A 
ATOM     22  N   LIG    1       -2.956  -0.762   1.638  0.00  0.00    -0.247 NA
BRANCH  18  24
ATOM     23  C   LIG    1       -4.135   1.185  -1.045  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -3.392   1.292   0.285  0.00  0.00    +0.108 C 
ATOM     25  C   LIG    1       -2.495   2.527   0.327  0.00  0.00    +0.048 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -4.390   1.471   1.309  0.00  0.00    -0.382 OA
ATOM     27  H   LIG    1       -4.370   0.659   1.856  0.00  0.00    +0.211 HD
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 6