REMARK  Name = BDB014248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.134   0.054   1.353  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1        1.741   0.490   0.197  0.00  0.00    -0.353 N 
ATOM      3  H   LIG    1        1.308   0.486  -0.722  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        3.013   0.939   0.462  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        3.222   0.783   1.826  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        4.379   1.125   2.442  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        5.327   1.638   1.631  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        5.204   1.830   0.263  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.009   1.472  -0.361  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        2.045   0.228   2.380  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.770   1.631  -1.808  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1        2.746   1.331  -2.394  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        4.825   2.158  -2.452  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        4.534   2.208  -3.387  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1       -0.256  -0.492   1.372  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.806  -0.296   0.071  0.00  0.00    -0.486 OA
BRANCH  16  21
ATOM     17  C   LIG    1       -6.080  -1.967  -1.200  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.702  -1.514  -0.822  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -3.872  -0.907  -1.769  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.577  -0.514  -1.423  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -2.087  -0.729  -0.133  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -2.907  -1.347   0.811  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.205  -1.742   0.466  0.00  0.00    +0.007 A 
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5