REMARK  Name = BDB032498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.830   0.808  -0.367  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.153   1.371   0.816  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.318   1.127   1.848  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1        0.821   0.344   1.752  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.135  -0.235   0.518  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.287   0.011  -0.565  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.635   1.005  -1.472  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.799   1.800  -1.234  0.00  0.00    +0.234 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -8.784  -0.812   0.535  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -7.590  -1.095  -0.291  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1       -6.515  -0.254  -0.419  0.00  0.00    -0.332 N 
ATOM     12  C   LIG    1       -6.310   1.024   0.233  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -5.189   1.839  -0.413  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -3.954   0.961  -0.669  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -4.310  -0.197  -1.619  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -5.596  -0.854  -1.245  0.00  0.00    +0.110 A 
ATOM     17  N   LIG    1       -6.035  -2.023  -1.659  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -7.264  -2.183  -1.074  0.00  0.00    +0.133 A 
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  19
ATOM     19  C   LIG    1        2.368  -1.089   0.363  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.547  -0.246   0.509  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        3.450   0.613  -0.027  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.841  -0.784   0.354  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        5.975   0.091   0.344  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        7.283  -0.441   0.201  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        8.375   0.464   0.166  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        8.237   1.795   0.279  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        6.995   2.278   0.441  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        7.439  -1.841   0.113  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        6.344  -2.694   0.183  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.862   1.487   0.480  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        5.062  -2.169   0.316  0.00  0.00    +0.023 A 
BRANCH  25  32
ATOM     32  N   LIG    1        9.697   0.010   0.020  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        9.925  -0.604   0.795  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        9.777  -0.509  -0.848  0.00  0.00    +0.144 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7