REMARK  Name = BDB019985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.257  -1.222   0.352  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.115   0.098  -0.097  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.195   0.994  -0.048  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1        2.428   0.532   0.440  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.593  -0.792   0.876  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        1.499  -1.666   0.822  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.047   2.375  -0.527  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.285   3.349   0.143  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.419   3.050   1.437  0.00  0.00    +0.066 C 
ATOM     10  N   LIG    1        0.133   4.618  -0.321  0.00  0.00    -0.260 NA
ATOM     11  C   LIG    1        0.764   4.947  -1.468  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        1.546   4.067  -2.191  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.685   2.769  -1.712  0.00  0.00    +0.012 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     14  N   LIG    1       -2.135  -1.652   0.381  0.00  0.00    -0.304 N 
ATOM     15  H   LIG    1       -2.285  -0.677   0.612  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -0.875  -2.190   0.325  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -0.662  -3.396   0.289  0.00  0.00    -0.270 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -3.320  -2.489   0.471  0.00  0.00    +0.180 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -5.501   1.838   1.121  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1       -5.620   0.368   0.849  0.00  0.00    +0.042 A 
ATOM     21  N   LIG    1       -4.477  -0.344   0.784  0.00  0.00    -0.236 NA
ATOM     22  C   LIG    1       -4.595  -1.671   0.535  0.00  0.00    +0.146 A 
ATOM     23  N   LIG    1       -5.766  -2.315   0.364  0.00  0.00    -0.236 NA
ATOM     24  C   LIG    1       -6.888  -1.572   0.438  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -8.195  -2.277   0.237  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1       -6.862  -0.212   0.682  0.00  0.00    +0.046 A 
ENDBRANCH  18  22
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1        3.943  -1.272   1.362  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.831  -1.540   0.252  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1        5.799  -0.640  -0.199  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1        6.067   0.516   0.293  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1        6.823   0.937  -0.246  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1        6.385  -1.287  -1.294  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1        7.401  -0.719  -2.144  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1        5.756  -2.508  -1.503  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1        4.814  -2.663  -0.563  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6