REMARK  Name = BDB014229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.737   0.075  -0.090  0.00  0.00    +0.047 A 
ATOM      2  N   LIG    1       -0.450   0.480   0.486  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -0.527   1.082   1.300  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -1.521  -0.072  -0.176  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -1.005  -0.851  -1.203  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -1.782  -1.549  -2.065  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.110  -1.436  -1.856  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -3.711  -0.684  -0.858  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.900   0.031   0.024  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        0.405  -0.756  -1.147  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.430   0.864   1.119  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -2.759   1.510   1.904  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -4.772   0.850   1.179  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -4.985   1.433   1.938  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1        2.042   0.551   0.454  0.00  0.00    +0.160 C 
BRANCH  15  17
ATOM     16  C   LIG    1        4.572   0.484   0.334  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        3.266  -0.043  -0.247  0.00  0.00    +0.034 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  O   LIG    1        2.038   0.183   1.829  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        2.006  -0.790   1.857  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5