REMARK  Name = BDB033683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.911  -1.057  -0.910  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -1.398  -2.072  -1.683  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -0.082  -2.370  -1.442  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        0.668  -1.729  -0.522  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.084  -0.756   0.183  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -1.192  -0.391   0.016  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.155  -2.772  -2.663  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -2.751  -3.354  -3.470  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        0.772  -0.055   1.150  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.213   0.765   1.361  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.210   0.182   1.050  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        2.627   0.854  -0.260  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        4.121   1.166  -0.240  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.885  -0.073   0.037  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        4.532  -0.718   1.325  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        3.047  -1.066   1.335  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        6.522  -0.089  -0.414  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1        7.048  -1.410  -0.146  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        6.631   0.511  -1.726  0.00  0.00    -0.158 OA
ATOM     20  C   LIG    1        7.255   1.035   0.759  0.00  0.00    +0.215 C 
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  O   LIG    1       -3.233  -0.711  -1.109  0.00  0.00    -0.469 OA
BRANCH  21  24
ATOM     22  C   LIG    1       -6.031  -0.255  -1.301  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -5.091   0.838  -0.784  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -3.737   0.317  -0.253  0.00  0.00    +0.206 C 
ATOM     25  C   LIG    1       -4.084  -0.193   1.150  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -5.266   0.654   1.625  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -5.654   1.546   0.448  0.00  0.00    +0.038 C 
BRANCH  23  28
ATOM     28  O   LIG    1       -4.894   1.785  -1.831  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1       -4.470   1.313  -2.570  0.00  0.00    +0.210 HD
ENDBRANCH  23  28
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7