REMARK  Name = BDB052832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.927   0.630   0.541  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.440   1.718  -0.165  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -0.387   2.582  -0.487  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.793   2.014   0.004  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.016   2.708  -0.158  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        2.021   3.943  -0.801  0.00  0.00    +0.118 A 
ATOM      7  C   LIG    1        0.850   4.513  -1.265  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.372   3.854  -1.101  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.450   0.786   0.640  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.349  -0.115   1.346  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.317  -0.773   0.591  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.370  -0.799  -0.876  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        2.972  -2.111  -1.413  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.306  -2.442  -0.885  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.028  -2.075  -1.504  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.523  -1.910   0.471  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.239  -1.673   1.282  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.262  -0.258   2.564  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.813   1.893  -0.532  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.148   2.409  -1.790  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.489   2.568  -2.151  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.500   2.210  -1.262  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.174   1.688  -0.012  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.835   1.525   0.353  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   6  25
ATOM     25  O   LIG    1        3.179   4.644  -0.976  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1        3.900   4.172  -0.528  0.00  0.00    +0.292 HD
ENDBRANCH   6  25
BRANCH   1  27
ATOM     27  O   LIG    1       -1.740  -0.352   0.958  0.00  0.00    -0.438 OA
BRANCH  27  30
ATOM     28  C   LIG    1       -1.712  -1.946   3.314  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -1.339  -2.487   1.964  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -1.362  -1.668   0.825  0.00  0.00    +0.136 A 
ATOM     31  C   LIG    1       -1.074  -2.189  -0.438  0.00  0.00    +0.085 A 
ATOM     32  C   LIG    1       -0.716  -3.524  -0.553  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1       -0.416  -4.022  -1.760  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -0.662  -4.352   0.561  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1       -0.983  -3.837   1.819  0.00  0.00    +0.010 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5