REMARK  Name = BDB039094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.207   2.288   1.863  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.396   2.169   0.749  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.518   1.006   0.684  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.467   1.070  -0.395  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.403   2.143  -1.314  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.410   2.181  -2.303  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.467   1.158  -2.432  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.544   0.096  -1.525  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.204  -1.049  -1.339  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.374  -1.774  -0.314  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.397  -1.117   0.195  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.380   3.286  -1.193  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.519   0.036  -0.535  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.673   2.855  -0.507  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.124   1.569   2.852  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.082  -3.131   0.163  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        1.036  -4.179  -0.028  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        1.843  -4.408   1.246  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        0.963  -4.898   2.398  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.478  -4.393   2.325  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.568  -3.044   1.624  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        6.962   3.455   2.884  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.113   3.298   1.747  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.367  -1.432  -2.120  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.697  -1.302  -1.366  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.132   0.145  -1.058  0.00  0.00    -0.009 C 
ATOM     27  C   LIG    1       -4.322   0.151  -0.087  0.00  0.00    +0.018 C 
ATOM     28  C   LIG    1       -4.696   1.575   0.356  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -4.362   2.643  -0.698  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -4.452   2.086  -2.113  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -3.483   0.923  -2.340  0.00  0.00    +0.003 C 
BRANCH  28  32
ATOM     32  C   LIG    1       -6.164   1.610   0.727  0.00  0.00    +0.308 C 
ATOM     33  O   LIG    1       -7.083   2.065   0.068  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -6.401   1.038   1.925  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -7.370   1.125   2.042  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7