REMARK  Name = BDB032794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.157   0.544   2.679  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        2.218   1.002   1.884  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.202   0.093   1.542  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        4.404   0.298   0.727  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        5.098  -0.898   0.726  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.353  -1.962   1.386  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        4.678   1.332   0.151  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.172  -1.241   1.940  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.128  -1.713   2.713  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.119  -0.813   3.080  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        6.280  -1.193  -0.077  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.926  -1.183  -1.564  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.108  -1.966  -2.049  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.521  -0.224  -2.342  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.259  -0.223  -3.317  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.308   0.826  -1.948  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.715   1.643  -2.772  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.626   0.947  -0.479  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.525  -0.376   0.258  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.036   1.478   3.061  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.913   1.538   1.991  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -2.772   0.895   1.000  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1       -2.374   1.538   0.329  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.003   0.736   2.119  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -2.219   0.014   3.079  0.00  0.00    -0.226 OA
BRANCH  22  30
ATOM     26  C   LIG    1       -5.793   0.004  -0.909  0.00  0.00    +0.048 A 
ATOM     27  N   LIG    1       -6.418  -0.875  -0.090  0.00  0.00    -0.259 NA
ATOM     28  C   LIG    1       -5.835  -1.169   1.091  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -4.637  -0.628   1.519  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -3.993   0.273   0.685  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -4.579   0.592  -0.544  0.00  0.00    +0.047 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -5.532  -0.064  -3.414  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -6.462   0.331  -2.250  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -7.790  -0.439  -2.426  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -6.779   1.837  -2.329  0.00  0.00    +0.017 C 
ENDBRANCH  26  33
ENDBRANCH  22  30
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6