REMARK  Name = BDB051902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.608  -2.231  -0.132  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -1.087  -0.942  -0.268  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.424  -0.263  -0.618  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.280  -3.226   0.108  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        3.150   0.503   0.749  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.949  -0.194   0.603  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1        1.900  -1.444  -0.060  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        0.834  -2.342  -0.370  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        1.422  -3.439  -0.959  0.00  0.00    +0.108 A 
ATOM     10  N   LIG    1        2.792  -3.266  -1.079  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1        3.615  -4.259  -1.662  0.00  0.00    +0.229 C 
ATOM     12  O   LIG    1        3.095  -5.273  -2.118  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1        5.087  -4.019  -1.696  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        3.101  -2.009  -0.532  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        4.311  -1.296  -0.390  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.316  -0.046   0.244  0.00  0.00    +0.048 A 
BRANCH   5  17
ATOM     17  O   LIG    1        3.033   1.702   1.396  0.00  0.00    -0.492 OA
BRANCH  17  19
ATOM     18  C   LIG    1        3.872   3.688   2.411  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        4.236   2.428   1.646  0.00  0.00    +0.225 C 
ENDBRANCH  17  19
ENDBRANCH   5  17
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1       -2.404  -0.480  -0.066  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -2.652   0.873  -0.352  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -3.925   1.441  -0.182  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.958   0.621   0.288  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -4.726  -0.728   0.583  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1       -3.447  -1.276   0.406  0.00  0.00    +0.038 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.156   2.852  -0.489  0.00  0.00    +0.135 A 
ATOM     27  O   LIG    1       -5.431   3.311  -0.304  0.00  0.00    -0.463 OA
ATOM     28  C   LIG    1       -5.446   4.626  -0.637  0.00  0.00    +0.196 A 
ATOM     29  C   LIG    1       -4.197   5.033  -1.038  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.364   3.891  -0.943  0.00  0.00    +0.050 A 
ENDBRANCH  22  26
BRANCH  24  31
ATOM     31  C   LIG    1       -5.865  -1.537   1.082  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       -7.004  -1.139   1.243  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -5.526  -2.806   1.361  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -6.358  -3.217   1.671  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH   2  20
TORSDOF 7