REMARK  Name = BDB042664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.079   1.922  -1.019  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.747  -0.069  -0.011  0.00  0.00    -0.040 C 
ATOM      3  C   LIG    1        3.060  -0.412  -1.313  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        1.575  -0.003  -1.328  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        1.404   1.343  -0.775  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        1.810   1.393   0.633  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        3.147   0.745   0.878  0.00  0.00    -0.007 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.580  -1.665   0.796  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        7.396  -0.329   0.912  0.00  0.00    -0.244 NA
ATOM     10  C   LIG    1        6.151   0.139   0.644  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        5.067  -0.655   0.268  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1        5.301  -2.028   0.158  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        6.570  -2.545   0.425  0.00  0.00    +0.039 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.957  -2.585   1.307  0.00  0.00    -0.189 NA
ATOM     15  C   LIG    1        8.902  -2.149   1.084  0.00  0.00    +0.119 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.125   1.150  -0.461  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.435   1.875  -0.793  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.640   1.128  -0.281  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1       -3.870   1.156   1.077  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.240   1.662   1.690  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.927   0.537   1.712  0.00  0.00    +0.258 A 
ATOM     22  O   LIG    1       -5.078   0.593   2.926  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.868  -0.200   0.847  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.639  -0.224  -0.524  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1       -6.444  -0.872  -1.401  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1       -7.513  -1.516  -0.877  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -7.817  -1.544   0.477  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.976  -0.872   1.359  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -4.487   0.471  -1.090  0.00  0.00    +0.049 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6