REMARK  Name = BDB012463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.168  -3.606   3.153  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.272  -2.866   2.177  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -0.753  -2.925   1.111  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.784  -1.976   1.132  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.795  -1.996   0.158  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -2.747  -2.986  -0.834  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.730  -3.950  -0.832  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.897  -0.953   0.178  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1       -3.450   0.349  -0.318  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1       -2.483   0.979   0.433  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1       -1.930   2.049  -0.046  0.00  0.00    +0.093 A 
ATOM     12  C   LIG    1       -2.324   2.694  -1.312  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -3.280   2.082  -2.013  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1       -0.740   2.575   0.663  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        0.241   1.608   0.944  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        1.444   1.928   1.591  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1        1.630   3.256   1.991  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        0.648   4.226   1.733  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        2.486   0.869   1.911  0.00  0.00    +0.160 C 
ATOM     20  N   LIG    1        2.508  -0.213   0.933  0.00  0.00    -0.307 N 
ATOM     21  C   LIG    1        1.788  -1.392   1.001  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1        1.770  -1.988  -0.168  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        2.565  -1.237  -0.993  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        2.903  -1.448  -2.337  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.734  -0.520  -2.976  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.213   0.599  -2.292  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.881   0.828  -0.951  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        3.059  -0.120  -0.328  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1       -0.541   3.891   1.071  0.00  0.00    +0.050 A 
ATOM     30 CL   LIG    1       -1.722   5.128   0.857  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -3.887   0.813  -1.549  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -4.718   0.258  -2.264  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -0.736  -3.930   0.148  0.00  0.00    +0.013 A 
ATOM     34  N   LIG    1        1.188  -1.839   2.156  0.00  0.00    -0.252 N 
ATOM     35  H   LIG    1        1.656  -1.671   3.035  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0