REMARK  Name = BDB033724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.052  -0.943   1.430  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -1.879  -1.737   2.539  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -0.637  -1.659   3.115  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        0.354  -0.870   2.648  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.086  -0.125   1.567  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -1.089  -0.140   0.930  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.891  -2.585   3.067  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -3.687  -3.291   3.530  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        1.043   0.720   1.037  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.744   0.956   0.096  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.444   0.342   1.201  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        2.796  -0.851   0.301  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        4.269  -0.832  -0.080  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.561   0.379  -0.873  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        3.802   1.603  -0.533  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        3.328   1.567   0.912  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        6.103   0.540  -1.544  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1        6.068   1.643  -2.479  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        6.558  -0.773  -1.943  0.00  0.00    -0.158 OA
ATOM     20  C   LIG    1        7.071   1.048  -0.136  0.00  0.00    +0.215 C 
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  O   LIG    1       -3.281  -0.984   0.801  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.393  -0.108  -0.326  0.00  0.00    +0.237 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.050  -1.671  -1.457  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1       -4.803  -0.263  -0.921  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -5.171   0.857  -1.941  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -5.839   1.627  -0.786  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -5.956   0.291  -0.029  0.00  0.00    +0.010 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7