REMARK  Name = BDB012889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.207   0.924   0.923  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.265   0.122   0.304  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.140   0.230   0.677  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.851  -0.848  -0.150  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.026  -0.938  -1.397  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.431  -0.764  -0.835  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.853   1.790   1.723  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.712   0.258   0.057  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.774   1.477   0.601  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -4.506   1.737   0.958  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -4.297   2.608   1.436  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.607   0.761   0.613  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.382  -0.234   0.051  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.261  -1.694   0.334  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.962  -0.410  -0.443  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.885  -0.697  -1.944  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.232  -0.537  -0.461  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.432   0.035  -1.271  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.210  -0.662   0.507  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1        2.985  -1.134   1.616  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.584  -0.168   0.059  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1        4.553   1.346  -0.220  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        5.875   2.056   0.083  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1        7.070   1.165  -0.223  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        7.059  -0.112   0.618  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        5.663  -0.523   1.087  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4