REMARK  Name = BDB046991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.726   0.254  -0.771  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1       -1.792   0.151   0.105  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -1.691  -0.359   1.463  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -2.895  -1.187   1.876  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -4.035  -0.363   2.204  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -4.513  -0.521   3.084  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.753   0.432   1.354  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -4.295   0.699  -0.032  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -5.264   1.161  -0.946  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.946   1.460  -2.265  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.636   1.319  -2.715  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.637   0.874  -1.827  0.00  0.00    +0.001 A 
ATOM     13  O   LIG    1       -5.810   0.912   1.761  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.969   0.562  -0.501  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -1.244   0.663  -1.983  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     16  C   LIG    1        3.353  -0.620   0.187  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1        2.686   0.444   0.812  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        1.356   0.733   0.499  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        0.667  -0.043  -0.440  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1        1.331  -1.097  -1.075  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        2.663  -1.385  -0.763  0.00  0.00    +0.005 A 
BRANCH  16  22
ATOM     22  C   LIG    1        4.793  -0.926   0.529  0.00  0.00    +0.116 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.065  -0.146   0.393  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1        5.671   0.172   0.126  0.00  0.00    -0.315 NA
ATOM     25  H   LIG    1        5.543   0.344  -0.871  0.00  0.00    +0.122 HD
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 3