REMARK  Name = BDB012154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.121   0.203   1.659  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.379  -0.346   0.595  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.434  -0.918  -0.228  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.745  -1.331  -1.099  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.000  -0.925   0.041  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.355  -1.781   1.265  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        2.808  -1.563   1.669  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        3.068  -0.111   2.107  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.102   0.903   1.469  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        1.615   0.487   0.080  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        4.495   0.256   1.872  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        4.902   0.444   0.578  0.00  0.00    -0.420 OA
ATOM     13  C   LIG    1        6.229   0.751   0.744  0.00  0.00    +0.248 A 
ATOM     14  N   LIG    1        6.592   0.741   2.011  0.00  0.00    -0.107 NA
ATOM     15  N   LIG    1        5.467   0.419   2.743  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.010   1.028  -0.455  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        6.436   1.011  -1.736  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.209   1.280  -2.869  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.565   1.569  -2.736  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        9.151   1.590  -1.472  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        8.378   1.321  -0.340  0.00  0.00    +0.013 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -2.787  -0.494   0.060  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.793   0.293   0.891  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.189  -0.029   0.427  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -5.833  -1.025   1.110  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -5.403  -1.478   1.905  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -7.099  -1.451   0.800  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -7.659  -2.340   1.430  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.737  -0.770  -0.339  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -7.002   0.228  -0.984  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -7.584   0.889  -2.067  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -8.874   0.558  -2.494  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.595  -0.442  -1.838  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -9.028  -1.112  -0.755  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -5.702   0.588  -0.586  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6