REMARK  Name = BDB044532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.321   0.718   1.767  0.00  0.00    +0.026 C 
ATOM      2  C   LIG    1       -0.875   0.028   0.458  0.00  0.00    +0.070 C 
ATOM      3  C   LIG    1       -1.519  -1.372   0.503  0.00  0.00    +0.229 C 
ATOM      4  O   LIG    1       -1.017  -2.341   1.071  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -2.766  -1.504  -0.065  0.00  0.00    -0.256 N 
ATOM      6  H   LIG    1       -3.179  -2.424   0.005  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1       -3.522  -0.562  -0.715  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.639  -0.835  -1.146  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.940   0.823  -0.812  0.00  0.00    +0.097 C 
ATOM     10  C   LIG    1       -1.420   0.788  -0.774  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.658  -0.027   0.301  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        1.260  -0.983  -0.538  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        2.647  -1.019  -0.724  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.474  -0.071  -0.125  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        2.896   0.851   0.745  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        1.508   0.892   0.937  0.00  0.00    +0.006 A 
BRANCH  14  17
ATOM     17  N   LIG    1        4.864  -0.181  -0.219  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        5.184  -0.641  -1.066  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.361   0.684  -0.035  0.00  0.00    +0.142 HD
ENDBRANCH  14  17
ENDBRANCH   2  11
TORSDOF 2