REMARK  Name = BDB039122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.578   3.283  -0.359  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.185   1.973  -0.570  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        2.940   1.540   0.054  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.408   0.225  -0.456  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.118  -0.555  -1.399  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        2.594  -1.769  -1.869  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.370  -2.263  -1.409  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.687  -1.491  -0.463  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.519  -1.651   0.189  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.689  -0.584   1.046  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.324   0.254   0.939  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.429  -0.048  -1.948  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.180  -0.284   0.014  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.108   0.926  -0.988  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        3.880   4.130   0.186  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.850  -0.399   1.982  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -2.343   1.059   2.005  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -1.779   1.647   3.290  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -1.870   0.485   4.263  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -1.444  -0.720   3.433  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  22
ATOM     21  C   LIG    1        6.269   4.880  -0.633  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        5.831   3.535  -0.828  0.00  0.00    -0.454 OA
ENDBRANCH   1  22
BRANCH   9  23
ATOM     23  C   LIG    1       -1.426  -2.768  -0.035  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.264  -2.600  -1.316  0.00  0.00    +0.147 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.339  -1.534  -1.163  0.00  0.00    -0.032 A 
ATOM     26  C   LIG    1       -4.546  -1.797  -0.494  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.510  -0.798  -0.355  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.279   0.474  -0.874  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.082   0.751  -1.529  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.116  -0.246  -1.674  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -2.825  -3.949  -1.746  0.00  0.00    +0.314 C 
ATOM     32  O   LIG    1       -2.555  -5.013  -1.208  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.637  -3.888  -2.829  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -3.815  -2.979  -3.147  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 7