REMARK  Name = BDB020549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.490   0.522   0.219  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        2.303   0.598   0.859  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        1.193   0.280   0.148  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.180  -0.127  -1.196  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        2.438  -0.184  -1.833  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.518  -0.572  -3.181  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.372  -0.903  -3.900  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.127  -0.858  -3.280  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.016  -0.480  -1.933  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.596   0.149  -1.115  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.302  -0.450  -1.325  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.183  -1.505  -1.231  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.151  -2.912  -1.661  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -2.956  -3.725  -0.759  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.180  -3.275  -0.273  0.00  0.00    +0.235 C 
ATOM     16  C   LIG    1       -4.441  -1.780  -0.267  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.044  -4.043   0.156  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1       -2.729  -5.159  -0.814  0.00  0.00    +0.132 C 
ATOM     19  N   LIG    1       -3.271  -0.992  -0.581  0.00  0.00    -0.320 N 
ATOM     20  C   LIG    1       -3.032   0.330  -0.304  0.00  0.00    +0.114 A 
ATOM     21  N   LIG    1       -1.834   0.671  -0.740  0.00  0.00    -0.232 NA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.993   1.241   0.410  0.00  0.00    +0.059 C 
ATOM     23  C   LIG    1       -3.665   1.273   1.911  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -4.144   2.576   2.533  0.00  0.00    +0.160 C 
ATOM     25  O   LIG    1       -3.542   3.733   1.955  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1       -3.074   3.573   0.613  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1       -3.977   2.655  -0.197  0.00  0.00    +0.039 C 
ENDBRANCH  20  22
ENDBRANCH   9  11
BRANCH   1  30
ATOM     28  C   LIG    1        6.620  -0.658   0.168  0.00  0.00    +0.068 C 
ATOM     29  C   LIG    1        6.004   0.405   1.001  0.00  0.00    +0.069 A 
ATOM     30  C   LIG    1        4.660   0.876   1.006  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        4.638   1.820   2.014  0.00  0.00    +0.118 A 
ATOM     32  N   LIG    1        5.901   1.880   2.514  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1        6.369   2.724   3.585  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        6.759   1.042   1.908  0.00  0.00    -0.176 NA
ENDBRANCH   1  30
TORSDOF 3