REMARK  Name = BDB014214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.132  -0.287   0.470  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.764  -0.580   0.462  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        1.265  -1.695   1.121  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.136  -1.717   0.931  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.481  -0.623   0.156  0.00  0.00    +0.050 A 
ATOM      6  N   LIG    1        2.048  -2.563   1.805  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        3.364  -2.267   1.804  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        0.690   0.058  -0.112  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        0.753   0.905  -0.669  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        3.947  -1.177   1.174  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.802  -0.119  -0.351  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -2.281   1.090   0.479  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.806   1.246   0.517  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1       -4.469   0.768  -0.766  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -4.184  -0.709  -1.042  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -2.879  -1.211  -0.413  0.00  0.00    +0.041 C 
BRANCH  11  17
ATOM     17  O   LIG    1       -1.535   0.329  -1.684  0.00  0.00    -0.383 OA
ATOM     18  H   LIG    1       -1.310  -0.461  -2.206  0.00  0.00    +0.211 HD
ENDBRANCH  11  17
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  C   LIG    1        3.639   0.908  -0.240  0.00  0.00    +0.341 C 
ATOM     20  O   LIG    1        2.916   1.678  -0.854  0.00  0.00    -0.245 OA
BRANCH  19  22
ATOM     21  C   LIG    1        5.549   2.142  -0.764  0.00  0.00    +0.280 C 
ATOM     22  O   LIG    1        4.984   1.008  -0.105  0.00  0.00    -0.464 OA
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 4