REMARK  Name = BDB029279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.658  -0.385   2.213  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.014   1.000   2.225  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.125   0.833   1.235  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.582  -0.601   1.518  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.414  -1.332   1.978  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        3.862   0.056  -1.479  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1        3.217  -0.586  -0.406  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.329  -1.847   0.237  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        2.400  -1.877   1.251  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        1.712  -0.678   1.250  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        2.209   0.120   0.246  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1        1.799   1.364  -0.057  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        2.475   1.885  -1.093  0.00  0.00    +0.223 A 
ATOM     14  N   LIG    1        3.458   1.316  -1.809  0.00  0.00    -0.237 NA
BRANCH   6  15
ATOM     15  C   LIG    1        4.981  -0.557  -2.284  0.00  0.00    +0.215 C 
BRANCH  15  16
ATOM     16  O   LIG    1        6.259   0.041  -2.040  0.00  0.00    -0.374 OA
BRANCH  16  18
ATOM     17  C   LIG    1        6.791   0.869   0.161  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        6.844  -0.312  -0.790  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1       -0.540   1.276   3.534  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -1.381   1.749   3.366  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -2.143   1.801   1.503  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -1.892   2.611   1.023  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.184  -1.341   0.305  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.595  -0.904  -0.035  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -3.837   0.161  -0.920  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -5.145   0.504  -1.170  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1       -6.031   1.447  -1.930  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1       -7.231   0.698  -1.262  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -6.197  -0.151  -0.583  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -6.011  -1.193   0.292  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.692  -1.569   0.569  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -1.335  -1.220  -0.843  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -1.810  -1.643  -1.581  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 9