REMARK  Name = BDB021993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.676   0.910  -1.133  0.00  0.00    +0.082 C 
ATOM      2  C   LIG    1       -0.152   0.636  -2.406  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1        0.724   0.262  -3.605  0.00  0.00    +0.010 C 
ATOM      4  C   LIG    1       -1.228  -0.433  -2.163  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1       -2.093  -0.073  -1.031  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1       -1.311   0.075   0.207  0.00  0.00    +0.089 C 
ATOM      7  C   LIG    1       -0.238   1.171   0.085  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -0.877   2.565   0.019  0.00  0.00    +0.010 C 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1        3.453  -1.127   0.093  0.00  0.00    -0.252 N 
ATOM     10  H   LIG    1        3.204  -1.953  -0.426  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1        2.755   0.036  -0.095  0.00  0.00    +0.305 C 
ATOM     12  N   LIG    1        1.619  -0.180  -0.852  0.00  0.00    -0.296 N 
ATOM     13  H   LIG    1        1.236  -1.111  -0.803  0.00  0.00    +0.151 HD
ATOM     14  O   LIG    1        3.069   1.141   0.329  0.00  0.00    -0.252 OA
BRANCH   9  19
ATOM     15  C   LIG    1        7.490  -0.582   3.000  0.00  0.00    +0.089 C 
ATOM     16  C   LIG    1        6.370  -0.956   2.120  0.00  0.00    +0.136 A 
ATOM     17  O   LIG    1        6.350  -2.240   1.677  0.00  0.00    -0.358 OA
ATOM     18  N   LIG    1        5.244  -2.429   0.868  0.00  0.00    -0.063 NA
ATOM     19  C   LIG    1        4.610  -1.251   0.829  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        5.285  -0.288   1.611  0.00  0.00    +0.091 A 
ENDBRANCH   9  19
ENDBRANCH   1  12
BRANCH   5  21
ATOM     21  C   LIG    1       -3.171  -1.069  -0.875  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.273  -0.626   0.065  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1       -4.935   0.595  -0.137  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.961   0.996   0.719  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.341   0.180   1.782  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.696  -1.038   1.990  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.668  -1.441   1.135  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 4