REMARK  Name = BDB011111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.860   0.281  -0.452  0.00  0.00    +0.242 C 
ATOM      2  N   LIG    1        0.017  -0.756  -0.243  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        1.338  -0.549   0.410  0.00  0.00    +0.104 C 
ATOM      4  C   LIG    1        1.878  -1.958   0.732  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.943  -2.831  -0.035  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        1.014  -4.201  -0.220  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.008  -4.807  -0.941  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.037  -4.010  -1.432  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -1.112  -2.669  -1.258  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1       -0.126  -2.112  -0.549  0.00  0.00    +0.131 A 
ATOM     11  O   LIG    1       -0.523   1.442  -0.167  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -2.267   0.038  -1.052  0.00  0.00    +0.162 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -3.766   0.465   0.898  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -3.155   0.900  -0.260  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1       -2.994   1.903  -0.298  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1       -3.800  -0.713   1.241  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.331   1.617   1.763  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -5.315   1.110   2.816  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -6.077   2.381   0.202  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -4.859   2.728   0.928  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -5.063   3.518   1.542  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH  12  14
BRANCH  12  22
ATOM     22  C   LIG    1       -2.322   0.474  -2.537  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -1.328  -0.271  -3.431  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -3.734   0.294  -3.109  0.00  0.00    +0.009 C 
ENDBRANCH  12  22
ENDBRANCH   1  12
BRANCH   3  25
ATOM     25  C   LIG    1        2.287   0.267  -0.502  0.00  0.00    +0.127 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.700   0.273  -0.144  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        4.345   0.431  -0.907  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1        4.133   0.635   1.116  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1        3.380   0.809   2.067  0.00  0.00    -0.270 OA
BRANCH  28  30
ATOM     30  C   LIG    1        5.600   0.830   1.279  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        6.048   1.711   2.271  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        7.415   1.922   2.458  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.339   1.246   1.661  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.900   0.354   0.683  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.533   0.141   0.492  0.00  0.00    +0.013 A 
ENDBRANCH  28  30
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8