REMARK  Name = BDB007862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.954   0.566   0.063  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.106  -0.439   0.315  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.230  -0.204   0.223  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.157  -1.349   0.479  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -2.437  -0.896   0.999  0.00  0.00    -0.273 N 
ATOM      6  C   LIG    1       -3.058   0.220   0.447  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -2.211   1.146  -0.198  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.280   0.360   0.542  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.786   1.011  -0.154  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.117   2.053  -0.388  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.494   1.829  -0.284  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.772   2.283  -0.866  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.796   3.038  -0.275  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -4.354   4.136  -0.939  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.902   4.481  -2.209  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.587   5.831  -3.026  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.902   3.734  -2.824  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -2.344   2.639  -2.157  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        3.977  -0.813   0.463  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        3.339   0.384   0.153  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        3.915   1.191  -0.030  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        3.427  -1.890   0.669  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        5.521  -0.638   0.490  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        6.045  -0.683  -0.945  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        5.892  -1.583   2.707  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        6.207  -1.674   1.287  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        7.214  -1.601   1.160  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -3.270  -1.901   1.651  0.00  0.00    +0.165 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.792  -2.888   0.651  0.00  0.00    +0.066 A 
ATOM     30  N   LIG    1       -3.035  -4.019   0.364  0.00  0.00    -0.251 NA
ATOM     31  C   LIG    1       -3.655  -4.750  -0.536  0.00  0.00    +0.156 A 
ATOM     32  S   LIG    1       -5.157  -4.145  -1.097  0.00  0.00    -0.084 S 
ATOM     33  C   LIG    1       -4.978  -2.796  -0.057  0.00  0.00    +0.071 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6