REMARK  Name = BDB053713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.846   0.859   0.391  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        1.192   1.949  -0.408  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1        0.161   2.892  -0.342  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -0.844   2.368   0.480  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.993   3.135   0.730  0.00  0.00    +0.121 A 
ATOM      6  N   LIG    1       -2.147   4.359   0.174  0.00  0.00    -0.263 NA
ATOM      7  C   LIG    1       -1.148   4.856  -0.580  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        0.035   4.189  -0.864  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.409   1.091   0.931  0.00  0.00    +0.108 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -1.098   0.208   1.859  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1       -2.241  -0.434   1.390  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -2.950  -1.363   2.267  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -3.082  -2.752   1.616  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -3.558  -2.771   0.214  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -2.810  -3.178  -0.354  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.830  -1.412  -0.285  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -2.687  -0.417  -0.009  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1       -0.679   0.070   3.005  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1        2.381   2.055  -1.202  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        2.334   2.643  -2.473  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.495   2.740  -3.249  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.703   2.241  -2.768  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.753   1.642  -1.511  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.598   1.548  -0.728  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1        1.662  -0.197   0.515  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1        1.701  -2.261   2.529  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        1.251  -2.485   1.113  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1        1.207  -1.450   0.168  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1        0.790  -1.699  -1.145  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        0.365  -2.976  -1.513  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        0.370  -4.005  -0.573  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.810  -3.761   0.731  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4