REMARK  Name = BDB046204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.799   0.391   0.257  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.676   1.216   0.341  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.606   0.685   0.167  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -1.790   1.583   0.276  0.00  0.00    +0.244 C 
ATOM      5  N   LIG    1       -3.014   1.036  -0.037  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -3.766   1.714  -0.075  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.121  -0.199  -0.778  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -2.163  -1.257  -0.239  0.00  0.00    +0.054 C 
ATOM      9  O   LIG    1       -1.694   2.752   0.627  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -0.777  -0.684  -0.099  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1        0.351  -1.509  -0.168  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.632  -0.972   0.003  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.170   0.237   0.379  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        2.993   1.032   0.442  0.00  0.00    -0.495 OA
ENDBRANCH   1  14
TORSDOF 1