REMARK  Name = BDB060321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.101   1.402   0.021  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -3.392   0.645  -0.163  0.00  0.00    +0.020 A 
ATOM      3  N   LIG    1       -3.548  -0.046  -1.339  0.00  0.00    -0.326 N 
ATOM      4  H   LIG    1       -2.814  -0.038  -2.038  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -4.646  -0.809  -1.664  0.00  0.00    +0.257 A 
ATOM      6  O   LIG    1       -4.714  -1.415  -2.727  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -5.739  -0.855  -0.663  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -5.618  -0.112   0.529  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -6.685  -0.122   1.455  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -7.778  -0.967   1.212  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -7.867  -1.696   0.030  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -8.939  -2.469  -0.186  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.864  -1.639  -0.921  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -4.370   0.639   0.757  0.00  0.00    +0.031 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -6.610   0.520   2.706  0.00  0.00    -0.357 N 
ATOM     16  H   LIG    1       -7.512   0.652   3.156  0.00  0.00    +0.142 HD
ATOM     17  H   LIG    1       -6.074   1.381   2.699  0.00  0.00    +0.142 HD
ENDBRANCH   9  15
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.925   0.469   0.335  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.377   1.266   0.499  0.00  0.00    +0.085 C 
BRANCH  19  23
ATOM     20  N   LIG    1        3.859   0.911  -0.792  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1        2.734   0.058  -1.244  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        1.973  -0.545  -0.036  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        1.496   0.436   0.970  0.00  0.00    -0.299 NA
ATOM     24  C   LIG    1        2.651   1.276   1.376  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        3.445   1.915   0.209  0.00  0.00    +0.120 C 
BRANCH  20  29
ATOM     26  C   LIG    1        7.667  -0.947  -0.665  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        7.182  -0.283   0.460  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.923   0.336   0.429  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        5.110   0.299  -0.713  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        5.634  -0.364  -1.838  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        6.890  -0.984  -1.821  0.00  0.00    +0.020 A 
BRANCH  26  33
ATOM     32  N   LIG    1        9.996  -2.087  -0.612  0.00  0.00    -0.191 NA
ATOM     33  C   LIG    1        8.954  -1.577  -0.636  0.00  0.00    +0.099 C 
ENDBRANCH  26  33
ENDBRANCH  20  29
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7