REMARK  Name = BDB004992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.841   0.773  -1.631  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.943   0.943  -1.027  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -1.667   0.485  -1.396  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.527   1.292  -1.251  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1       -0.671   2.576  -0.713  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.929   3.046  -0.345  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.056   2.234  -0.502  0.00  0.00    +0.023 A 
BRANCH   2   8
ATOM      8  N   LIG    1       -4.032   0.067  -1.187  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -4.072  -0.336  -2.120  0.00  0.00    +0.154 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -6.947   0.524   1.042  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -5.623   0.541   0.603  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -5.333   0.108  -0.683  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1       -6.296  -0.363  -1.504  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1       -7.572  -0.369  -1.061  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -7.948   0.065   0.193  0.00  0.00    +0.038 A 
BRANCH  10  17
ATOM     16  N   LIG    1       -7.539   1.336   3.431  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -7.271   0.971   2.362  0.00  0.00    +0.099 C 
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   2   8
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  N   LIG    1        1.575   0.461  -0.411  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        1.035  -0.159   0.186  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.861  -0.085  -0.607  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1        3.648  -0.424   0.514  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        4.916  -0.979   0.252  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        5.712  -1.339   1.360  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        5.262  -1.142   2.681  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.020  -0.580   2.927  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1        5.336  -1.146  -1.023  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1        4.519  -0.760  -2.010  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1        3.220  -0.222   1.851  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1        3.304  -0.237  -1.864  0.00  0.00    -0.220 NA
BRANCH  23  30
ATOM     30  C   LIG    1        7.074  -1.947   1.229  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1        7.743  -2.243   2.214  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1        7.570  -2.172  -0.020  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1        7.038  -1.913  -0.846  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1        8.495  -2.564  -0.117  0.00  0.00    +0.145 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7