REMARK  Name = BDB050348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.995  -0.007  -0.798  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.733  -0.326  -1.320  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1        1.620  -0.040  -0.526  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.711   0.536   0.730  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.466   0.704   1.279  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -0.403   0.243   0.391  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1        2.975   0.853   1.245  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.276  -0.215  -0.718  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.156  -0.618  -1.543  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        4.113   0.576   0.468  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.862   0.230   0.573  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.806  -0.244  -0.335  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -2.663  -0.843  -1.676  0.00  0.00    +0.245 C 
ATOM     14  N   LIG    1       -3.925  -1.135  -2.137  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -4.070  -1.557  -3.045  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -4.962  -0.782  -1.208  0.00  0.00    +0.140 C 
ATOM     17  O   LIG    1       -1.628  -1.048  -2.279  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -4.187  -0.213  -0.067  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -4.678   0.294   1.123  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -3.761   0.776   2.053  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.381   0.743   1.780  0.00  0.00    +0.012 A 
ENDBRANCH   6  11
BRANCH   1  23
ATOM     22  C   LIG    1        6.347  -0.019  -1.167  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.037  -0.317  -1.633  0.00  0.00    -0.495 OA
ENDBRANCH   1  23
TORSDOF 2