REMARK  Name = BDB011271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.164  -0.694   0.363  0.00  0.00    +0.054 A 
ATOM      2  N   LIG    1        1.187   0.224  -0.030  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1       -0.024  -0.378   0.164  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.452  -0.011  -0.011  0.00  0.00    +0.154 C 
ATOM      5  N   LIG    1       -2.079  -1.296   0.436  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -1.123  -2.282   0.775  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1       -1.322  -3.447   1.075  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.153  -1.647   0.626  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        1.519  -1.868   0.765  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.866   1.179   0.833  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -1.794   1.146   2.238  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.164   2.257   3.000  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.606   3.414   2.365  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -3.059   4.784   3.301  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -2.681   3.470   0.975  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -2.311   2.359   0.213  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   1  18
ATOM     17  C   LIG    1        4.409  -0.803  -0.750  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1        3.610  -0.465   0.353  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        4.230   0.039   1.504  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        5.611   0.245   1.534  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.388  -0.056   0.416  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        5.787  -0.577  -0.729  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        4.037  -2.694  -2.002  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        3.833  -1.285  -1.900  0.00  0.00    -0.494 OA
ENDBRANCH  17  24
ENDBRANCH   1  18
BRANCH   5  25
ATOM     25  C   LIG    1       -3.431  -1.724   0.060  0.00  0.00    +0.082 C 
ATOM     26  C   LIG    1       -3.466  -2.232  -1.391  0.00  0.00    +0.050 C 
ATOM     27  C   LIG    1       -4.894  -2.223  -1.911  0.00  0.00    +0.161 C 
ATOM     28  O   LIG    1       -5.456  -0.912  -1.945  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -4.977  -0.009  -0.949  0.00  0.00    +0.161 C 
ATOM     30  C   LIG    1       -4.548  -0.707   0.331  0.00  0.00    +0.050 C 
ENDBRANCH   5  25
BRANCH   2  31
ATOM     31  C   LIG    1        1.356   1.585  -0.537  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1        2.233   1.693  -1.783  0.00  0.00    +0.030 C 
ATOM     33  C   LIG    1        1.788   2.566   0.552  0.00  0.00    +0.030 C 
ENDBRANCH   2  31
TORSDOF 5