REMARK  Name = BDB014218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.320  -0.078   0.160  0.00  0.00    +0.047 A 
ATOM      2  N   LIG    1        0.121   0.544   0.425  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        0.000   1.453   0.858  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -0.932  -0.241   0.018  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1       -0.386  -1.396  -0.530  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -1.137  -2.402  -1.037  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -2.471  -2.207  -0.979  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -3.099  -1.090  -0.453  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.316  -0.059   0.069  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        1.020  -1.289  -0.443  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        3.305   1.155  -0.721  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.625   0.557   0.499  0.00  0.00    +0.158 C 
BRANCH  12  13
ATOM     13  O   LIG    1        3.457  -0.461   1.037  0.00  0.00    -0.386 OA
ATOM     14  H   LIG    1        2.932  -0.938   1.702  0.00  0.00    +0.210 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   9  15
ATOM     15  C   LIG    1       -2.967   1.137   0.632  0.00  0.00    +0.339 C 
ATOM     16  O   LIG    1       -4.167   1.328   0.692  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -2.092   2.050   1.100  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -2.680   2.765   1.429  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   9  15
TORSDOF 4