REMARK  Name = BDB011673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.997   0.346   0.495  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.709   0.031   0.723  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1        1.061   0.629   1.744  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        1.699   1.570   2.544  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1        0.931   2.368   3.860  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1        3.014   1.829   2.242  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1        3.679   1.234   1.234  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        3.585  -0.324  -0.578  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.877  -0.928  -0.978  0.00  0.00    +0.155 HD
BRANCH   8  14
ATOM     10  C   LIG    1        8.259   0.693  -1.546  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.919   0.160  -1.558  0.00  0.00    -0.273 N 
ATOM     12  N   LIG    1        6.575  -0.749  -2.491  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1        5.295  -1.011  -2.207  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        4.826  -0.274  -1.100  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1        5.904   0.476  -0.703  0.00  0.00    +0.131 A 
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1       -0.306   0.343   1.961  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -0.446   0.219   2.963  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.877  -0.752   1.172  0.00  0.00    +0.072 C 
ATOM     19  C   LIG    1       -1.269  -0.290  -0.231  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -2.577   0.490  -0.037  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -3.201  -0.058   1.259  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -4.578  -0.589   0.872  0.00  0.00    +0.113 C 
ATOM     23  N   LIG    1       -4.459  -0.819  -0.577  0.00  0.00    -0.181 NA
ATOM     24  C   LIG    1       -3.604   0.241  -1.139  0.00  0.00    +0.113 C 
ATOM     25  C   LIG    1       -2.238  -1.145   1.753  0.00  0.00    +0.027 C 
BRANCH  23  26
ATOM     26  S   LIG    1       -5.788  -1.359  -1.444  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1       -5.368  -1.559  -2.814  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1       -6.403  -2.425  -0.682  0.00  0.00    -0.158 OA
ATOM     29  C   LIG    1       -6.900   0.035  -1.417  0.00  0.00    +0.215 C 
ENDBRANCH  23  26
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5