REMARK  Name = BDB012920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.973  -2.207  -0.509  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.264  -1.545  -1.699  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.120  -1.373  -1.258  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.877  -0.315  -1.741  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.414   0.480  -2.555  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.382  -2.158  -0.058  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        0.854  -3.032   0.121  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.216  -0.169  -1.233  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -3.146  -1.164  -1.135  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -3.048  -2.134  -1.414  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -4.317  -0.773  -0.610  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.178   0.551  -0.461  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -2.888   0.976  -0.854  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.301   1.400   0.062  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -6.521   1.359  -0.861  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.692   1.011   1.489  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        3.716  -0.611   0.189  0.00  0.00    +0.215 C 
ATOM     18  N   LIG    1        2.500  -1.222   0.432  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        1.842  -0.713   1.010  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        4.462  -0.945  -0.725  0.00  0.00    -0.276 OA
BRANCH  17  21
ATOM     21  C   LIG    1        4.025   0.496   1.167  0.00  0.00    +0.124 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.370   1.138   0.876  0.00  0.00    +0.168 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.837   2.822   1.627  0.00  0.00    +0.194 C 
ATOM     24  O   LIG    1        5.592   2.167   1.842  0.00  0.00    -0.382 OA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 6