REMARK  Name = BDB012922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.754  -0.176  -1.294  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.759  -0.541  -0.400  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.371  -0.611  -0.845  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.427  -0.960   0.420  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.401  -0.282   1.512  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.833  -0.519   1.054  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -2.483   0.135  -2.451  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -6.266   0.228  -0.401  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.954  -0.847   0.336  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -4.673  -1.092   0.021  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -4.236  -1.921   0.407  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -4.112  -0.167  -0.812  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -5.152   0.678  -1.147  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -8.695  -0.177  -0.894  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -7.649   0.814  -0.380  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -8.029   1.325   1.011  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        1.804  -0.505   0.411  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        2.172  -0.078   1.251  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        2.709  -1.052  -0.478  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        2.393  -1.873  -1.332  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.129  -0.630  -0.322  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.465   0.628   0.203  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.823   0.980   0.336  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.493   2.139   0.817  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        7.847   1.918   0.704  0.00  0.00    +0.086 A 
ATOM     26  N   LIG    1        8.026   0.671   0.167  0.00  0.00    -0.350 N 
ATOM     27  C   LIG    1        9.312   0.073  -0.117  0.00  0.00    +0.149 C 
ATOM     28  C   LIG    1        6.805   0.072  -0.069  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.484  -1.181  -0.613  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        5.130  -1.513  -0.735  0.00  0.00    +0.015 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4