REMARK  Name = BDB013214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.037  -0.223   0.243  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.304   0.905  -0.222  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.940   0.876  -0.064  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.492   2.082  -0.514  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.500   2.783  -0.985  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.257  -0.209   0.491  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.927  -1.240   0.928  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.646   2.039  -0.799  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.302  -1.222   0.782  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.669  -0.964   1.055  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.287  -0.848   1.200  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        4.506  -0.367   0.141  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.188  -0.001  -1.020  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        6.528  -0.115  -1.194  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        7.237  -0.592  -0.150  0.00  0.00    +0.111 A 
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1       -1.116  -0.195   0.601  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.377  -0.940   1.248  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.922  -0.353  -0.607  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.375  -0.482  -0.225  0.00  0.00    -0.020 A 
ATOM     20  C   LIG    1       -4.253   0.622  -0.121  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -5.574   0.400   0.257  0.00  0.00    +0.135 A 
ATOM     22  O   LIG    1       -6.262   1.574   0.298  0.00  0.00    -0.463 OA
ATOM     23  C   LIG    1       -5.392   2.557  -0.045  0.00  0.00    +0.196 A 
ATOM     24  C   LIG    1       -6.109  -0.850   0.550  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -5.239  -1.937   0.456  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.149   2.030  -0.311  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -3.904  -1.759   0.081  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4