REMARK  Name = BDB050345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.233  -0.466   0.290  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1        0.862   0.684  -0.145  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        0.383   1.526  -0.447  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.231   0.557  -0.122  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.514  -0.720   0.344  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.859  -1.121   0.468  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        4.860  -0.213   0.116  0.00  0.00    +0.118 A 
ATOM      8  C   LIG    1        4.557   1.061  -0.349  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        3.228   1.474  -0.478  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.263  -1.348   0.597  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     11  O   LIG    1       -1.072   2.327  -0.717  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -2.086   1.704  -0.469  0.00  0.00    +0.245 C 
ATOM     13  C   LIG    1       -2.197   0.319   0.043  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -3.579   0.068   0.160  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -4.057  -1.147   0.616  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -3.127  -2.121   0.959  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.746  -1.868   0.842  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -4.379   1.253  -0.263  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -1.233  -0.636   0.378  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -3.362   2.195  -0.628  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -3.524   3.133  -0.971  0.00  0.00    +0.149 HD
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  O   LIG    1        6.181  -0.549   0.216  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1        6.239  -1.459   0.551  0.00  0.00    +0.292 HD
ENDBRANCH   7  22
TORSDOF 2