REMARK  Name = BDB041220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.168  -1.176   0.364  0.00  0.00    +0.184 A 
ATOM      2  N   LIG    1       -3.560  -2.433   0.637  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1       -2.523  -3.287   0.763  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -1.205  -2.897   0.614  0.00  0.00    +0.192 A 
ATOM      5  O   LIG    1       -0.371  -3.960   0.798  0.00  0.00    -0.458 OA
ATOM      6  C   LIG    1       -1.168  -5.033   1.061  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1       -0.870  -1.579   0.324  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -2.498  -4.669   1.051  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.907  -0.715   0.200  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.323   0.064   1.017  0.00  0.00    +0.168 A 
ATOM     11  C   LIG    1       -4.224  -0.194   0.219  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1       -4.319   0.713  -0.817  0.00  0.00    -0.255 N 
ATOM     13  N   LIG    1       -5.383   1.548  -0.705  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -5.994   1.139   0.407  0.00  0.00    +0.180 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -3.448   0.848  -1.985  0.00  0.00    +0.102 C 
ATOM     16  C   LIG    1       -4.242   0.895  -3.294  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -2.542   2.071  -1.849  0.00  0.00    +0.032 C 
ENDBRANCH  12  15
BRANCH  10  19
ATOM     18  C   LIG    1       -6.783  -0.244   2.805  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -5.580  -0.626   2.152  0.00  0.00    -0.491 OA
ENDBRANCH  10  19
ENDBRANCH   1  11
BRANCH   7  20
ATOM     20  N   LIG    1        0.449  -1.164   0.147  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        1.103  -1.827   0.554  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        0.707   0.222   0.494  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.191   0.485   0.395  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        2.816   0.557  -0.855  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.194   0.789  -0.953  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.993   0.949   0.193  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.347   0.876   1.441  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        2.971   0.643   1.545  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.451   1.190   0.112  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        6.983   1.930   1.120  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        8.310   2.183   1.091  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        9.160   1.727   0.100  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        8.616   0.963  -0.922  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.249   0.689  -0.918  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 7