REMARK  Name = BDB049566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.137  -2.121   0.197  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1        0.527  -3.557   0.035  0.00  0.00    +0.141 C 
ATOM      3  N   LIG    1       -0.698  -4.224   0.317  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -0.851  -5.222   0.317  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1       -1.723  -3.350   0.578  0.00  0.00    +0.245 C 
ATOM      6  O   LIG    1       -2.866  -3.678   0.839  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.172  -1.968   0.484  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   7   8
ATOM      8  C   LIG    1       -1.960  -0.802   0.689  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.046   0.374  -0.121  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.952   1.236   0.504  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -3.280   2.497  -0.008  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.668   2.893  -1.201  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.770   2.057  -1.857  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -3.410   0.596   1.633  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -4.096   0.977   2.269  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -1.456   0.797  -1.332  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -2.820  -0.632   1.754  0.00  0.00    +0.092 A 
ENDBRANCH   7   8
BRANCH   1  21
ATOM     18  C   LIG    1        3.162   0.906  -0.201  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        2.251   0.957   0.851  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        1.266  -0.031   0.979  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        1.165  -1.079   0.054  0.00  0.00    -0.019 A 
ATOM     22  C   LIG    1        2.094  -1.128  -0.993  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        3.079  -0.143  -1.118  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.252   2.919   0.431  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.166   1.800  -0.443  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH   1  21
TORSDOF 3