REMARK  Name = BDB032556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.433  -0.380   0.126  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.691   0.677  -0.382  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.081   1.639  -1.014  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.296   0.441   0.004  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.257  -0.700   0.805  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.053  -1.154   1.315  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -0.106  -0.439   0.994  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1       -1.280  -0.938   1.500  0.00  0.00    -0.479 OA
ATOM      9  C   LIG    1       -2.430  -0.349   0.867  0.00  0.00    +0.236 C 
ATOM     10  C   LIG    1       -2.259   1.164   0.749  0.00  0.00    +0.276 C 
ATOM     11  O   LIG    1       -1.150   1.478  -0.104  0.00  0.00    -0.485 OA
ATOM     12  C   LIG    1       -0.044   0.729   0.204  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        1.170   1.175  -0.314  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.634  -1.241   0.987  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1        9.756   1.045   0.049  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        8.588   0.667   0.029  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        7.721   0.995   1.041  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        8.096   1.585   1.771  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        6.444   0.525   1.245  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        5.851   0.775   2.293  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        5.891  -0.416   0.163  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1        6.550  -0.128  -1.187  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        8.059  -0.253  -1.047  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH   9  24
ATOM     24  C   LIG    1       -3.659  -0.708   1.709  0.00  0.00    +0.208 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -4.869  -0.177   1.174  0.00  0.00    -0.371 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -5.436  -0.998   0.152  0.00  0.00    +0.195 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.670  -0.335  -0.406  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1       -6.913  -0.338  -1.787  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -8.072   0.245  -2.305  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -9.003   0.830  -1.448  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.778   0.830  -0.074  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.620   0.247   0.445  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 5