REMARK  Name = BDB012893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.780  -0.606   1.998  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.409  -0.593   1.784  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.265  -0.422   0.500  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.613  -1.141   0.658  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.865  -1.057   2.165  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.471  -1.251   2.737  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -2.260  -1.158   2.986  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.222   0.690  -0.378  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.268   1.625  -0.479  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.344   1.240   0.414  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -1.550   1.849   0.572  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.611   0.046   1.019  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.864  -0.307   0.559  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.296   2.021  -0.860  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.482   0.769  -1.192  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.195   0.695  -2.693  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.687  -0.554  -0.124  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        2.742   0.455  -0.173  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.846  -1.271  -0.355  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        4.003  -2.432   0.002  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.949  -0.545  -1.036  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1        4.708   0.508  -1.920  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        5.800   1.119  -2.509  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        7.079   0.755  -2.277  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        7.282  -0.281  -1.434  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        6.260  -0.960  -0.798  0.00  0.00    +0.033 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4