REMARK  Name = BDB014274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.693   0.124   0.258  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.310  -0.075   0.295  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1        1.737  -1.204  -0.267  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.342  -1.132  -0.050  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        0.063   0.057   0.608  0.00  0.00    +0.105 A 
ATOM      6  N   LIG    1        2.456  -2.167  -0.889  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        3.784  -1.938  -0.955  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        1.285   0.668   0.827  0.00  0.00    -0.349 N 
ATOM      9  H   LIG    1        1.398   1.560   1.300  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        4.442  -0.841  -0.418  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.159   0.662   1.100  0.00  0.00    +0.263 C 
ATOM     12  N   LIG    1       -2.369   0.334   0.514  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1       -3.598   0.926   1.013  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -4.698   0.284   0.183  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -4.011   0.060  -1.157  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -2.601  -0.352  -0.749  0.00  0.00    +0.108 C 
ATOM     17  O   LIG    1       -1.114   1.476   2.022  0.00  0.00    -0.268 OA
ENDBRANCH   5  11
BRANCH   1  19
ATOM     18  O   LIG    1        3.665   2.384   0.961  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        4.280   1.336   0.865  0.00  0.00    +0.339 C 
BRANCH  19  20
ATOM     20  O   LIG    1        5.532   1.162   1.333  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        5.822   0.235   1.409  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 3