REMARK  Name = BDB035027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.678  -1.138   3.077  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -3.831  -0.271   2.189  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -3.871   1.131   2.266  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -3.126   1.946   1.506  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -2.298   1.350   0.621  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -1.385   1.954  -0.274  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -0.723   0.944  -0.954  0.00  0.00    +0.039 A 
ATOM      8  N   LIG    1       -1.274  -0.242  -0.522  0.00  0.00    -0.338 N 
ATOM      9  C   LIG    1       -2.199  -0.028   0.471  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -2.965  -0.880   1.269  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   3  11
ATOM     11  N   LIG    1       -4.730   1.765   3.179  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -5.689   1.509   2.972  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -4.509   1.459   4.120  0.00  0.00    +0.144 HD
ENDBRANCH   3  11
BRANCH   8  14
ATOM     14  C   LIG    1       -0.840  -1.588  -0.975  0.00  0.00    +0.088 C 
ATOM     15  C   LIG    1       -0.963  -2.038  -2.414  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -1.816  -2.676  -1.365  0.00  0.00    +0.027 C 
ENDBRANCH   8  14
BRANCH   7  17
ATOM     17  C   LIG    1        0.375   1.039  -1.945  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.616   0.854  -1.235  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1        1.703   1.316  -0.340  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.767   0.529  -1.919  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        2.791   0.283  -3.120  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.025   0.521  -1.123  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.032   0.249   0.251  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        5.238   0.245   0.956  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.438   0.507   0.292  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.437   0.766  -1.078  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.234   0.767  -1.786  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5