REMARK  Name = BDB015403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.385   0.086  -2.393  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.293   0.714  -1.329  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.054   1.982  -1.210  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        0.929   2.335  -2.260  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        1.030   1.139  -3.200  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -1.143  -0.010  -0.540  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -2.051  -1.019  -1.122  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -3.527  -0.650  -0.862  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -3.895  -0.608   0.578  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -2.711  -0.234   1.393  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -1.676   0.649   0.669  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.986   0.370   0.790  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -5.683   0.079   2.150  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -6.644  -0.873   1.413  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -6.302  -0.114   0.119  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1        1.260  -1.357  -2.255  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        1.897  -1.611  -3.533  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        0.461  -2.391  -1.633  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1        4.558  -0.268   0.738  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        4.819  -0.256  -0.635  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        3.818  -0.588  -1.554  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        2.543  -0.921  -1.097  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        2.272  -0.962   0.272  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        3.279  -0.631   1.183  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  C   LIG    1        7.541   0.715   2.829  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        6.816   0.476   1.528  0.00  0.00    +0.214 C 
ATOM     27  N   LIG    1        5.513   0.054   1.724  0.00  0.00    -0.286 N 
ATOM     28  H   LIG    1        5.199  -0.016   2.684  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1        7.371   0.683   0.455  0.00  0.00    -0.276 OA
ENDBRANCH  19  27
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 5