REMARK  Name = BDB050169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.441  -0.550   0.172  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.986  -0.724  -0.019  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -0.338   0.466  -0.759  0.00  0.00    +0.011 C 
ATOM      4  C   LIG    1       -1.313   1.038  -1.796  0.00  0.00    +0.007 C 
ATOM      5  C   LIG    1       -2.625   1.491  -1.149  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -2.877   0.844   0.213  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.560  -2.611   1.276  0.00  0.00    -0.273 NA
ATOM      8  H   LIG    1       -3.264  -3.214   1.700  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -3.125  -1.561   0.789  0.00  0.00    +0.173 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -4.468  -1.420   0.819  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1       -4.821  -0.999  -0.033  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -4.974  -2.268   1.029  0.00  0.00    +0.145 HD
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1        0.987   0.064  -1.433  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.085  -0.251  -0.442  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1        2.866   0.744   0.191  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.846   0.359   1.100  0.00  0.00    +0.135 A 
ATOM     17  O   LIG    1        4.488   1.452   1.600  0.00  0.00    -0.463 OA
ATOM     18  C   LIG    1        3.926   2.542   1.018  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        4.123  -0.960   1.445  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.350  -1.939   0.820  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.929   2.166   0.148  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        2.356  -1.595  -0.101  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 4