REMARK  Name = BDB023734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.837  -1.484  -0.148  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.005  -1.228   0.918  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.413  -1.574   0.843  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -1.883  -1.562   2.288  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -1.026  -0.487   2.953  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.250  -0.406   2.101  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1        0.367  -1.990  -1.180  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.116  -0.542  -0.044  0.00  0.00    +0.112 C 
ATOM      9  N   LIG    1       -2.178  -0.731  -1.406  0.00  0.00    -0.324 N 
ATOM     10  H   LIG    1       -1.401  -1.280  -1.787  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1       -2.459   0.561  -2.021  0.00  0.00    +0.052 C 
ATOM     12  C   LIG    1       -3.352   0.364  -3.245  0.00  0.00    +0.033 C 
ATOM     13  C   LIG    1       -1.122   1.184  -2.457  0.00  0.00    +0.033 C 
ATOM     14  C   LIG    1       -3.140   1.289  -0.796  0.00  0.00    +0.078 C 
ATOM     15  C   LIG    1       -2.801   2.777  -0.674  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -4.670   1.121  -0.734  0.00  0.00    +0.038 C 
ATOM     17  N   LIG    1       -2.590   0.589   0.419  0.00  0.00    -0.263 NA
ENDBRANCH   3   8
BRANCH   5  18
ATOM     18  O   LIG    1       -0.746  -0.849   4.303  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1       -0.266  -1.694   4.299  0.00  0.00    +0.210 HD
ENDBRANCH   5  18
BRANCH   1  20
ATOM     20  C   LIG    1        2.353  -1.243  -0.090  0.00  0.00    +0.146 C 
BRANCH  20  25
ATOM     21  C   LIG    1        3.233   3.731   0.698  0.00  0.00    +0.069 C 
ATOM     22  C   LIG    1        3.112   2.258   0.771  0.00  0.00    +0.081 A 
ATOM     23  N   LIG    1        3.533   1.595   1.854  0.00  0.00    -0.083 NA
ATOM     24  O   LIG    1        3.285   0.262   1.600  0.00  0.00    -0.359 OA
ATOM     25  C   LIG    1        2.707   0.126   0.377  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        2.590   1.372  -0.197  0.00  0.00    +0.071 A 
ENDBRANCH  20  25
BRANCH  20  27
ATOM     27  C   LIG    1        3.125  -2.449   0.502  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        4.636  -2.330   0.262  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1        2.855  -2.775   1.971  0.00  0.00    +0.008 C 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5