REMARK  Name = BDB021919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.724  -0.050   2.612  0.00  0.00    +0.024 C 
ATOM      2  C   LIG    1       -1.045  -0.959   1.418  0.00  0.00    +0.056 C 
ATOM      3  N   LIG    1       -2.221  -0.409   0.709  0.00  0.00    -0.295 NA
ATOM      4  C   LIG    1       -2.147  -0.607  -0.740  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1       -0.958   0.157  -1.330  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1        0.312   0.044  -0.477  0.00  0.00    +0.077 C 
ATOM      7  C   LIG    1        0.196  -1.115   0.516  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        1.492  -0.097  -1.329  0.00  0.00    -0.296 N 
ATOM      9  H   LIG    1        1.461  -0.839  -2.012  0.00  0.00    +0.151 HD
ATOM     10  C   LIG    1        2.754   0.194  -0.840  0.00  0.00    +0.304 C 
ATOM     11  N   LIG    1        3.714  -0.053  -1.798  0.00  0.00    -0.267 N 
ATOM     12  H   LIG    1        3.395  -0.204  -2.743  0.00  0.00    +0.156 HD
ATOM     13  O   LIG    1        2.945   0.618   0.292  0.00  0.00    -0.252 OA
BRANCH  11  14
ATOM     14  C   LIG    1        5.078   0.073  -1.615  0.00  0.00    +0.072 A 
ATOM     15  C   LIG    1        5.769   0.349  -0.460  0.00  0.00    +0.131 A 
ATOM     16  N   LIG    1        7.090   0.366  -0.798  0.00  0.00    -0.273 N 
ATOM     17  C   LIG    1        8.206   0.624   0.079  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        7.314   0.105  -2.101  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1        6.085  -0.069  -2.595  0.00  0.00    +0.157 A 
ENDBRANCH  11  14
ENDBRANCH   6   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.479  -0.942   1.270  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.703  -0.144   0.868  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -4.760   1.239   1.099  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.894   1.971   0.747  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.986   1.329   0.166  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.945  -0.045  -0.063  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.810  -0.780   0.288  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4