REMARK  Name = BDB008993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.316   0.865  -1.541  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.160   0.174  -1.648  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1       -0.695   0.488  -2.651  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.415   1.492  -3.572  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.774   2.201  -3.445  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.653   1.887  -2.412  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        4.000   1.768  -0.659  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.342   0.903  -0.092  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        2.104   0.443  -0.472  0.00  0.00    -0.266 N 
ATOM     10  H   LIG    1        1.692  -0.349   0.002  0.00  0.00    +0.157 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.921   0.243   1.115  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.118  -0.232   2.161  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.707  -0.843   3.271  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.093  -0.973   3.345  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.897  -0.486   2.315  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.314   0.125   1.204  0.00  0.00    +0.013 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -1.982  -0.293  -2.777  0.00  0.00    +0.113 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.310  -1.161  -1.569  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1       -2.727  -0.516  -0.281  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -2.897   0.974  -0.181  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -3.647   1.413   1.080  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -3.145   0.659   2.305  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.328  -0.850   2.132  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -2.943  -1.336   0.762  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -2.810  -2.805   0.595  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -2.992  -3.580   1.528  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -2.489  -3.238  -0.662  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -2.386  -4.238  -0.797  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -2.221  -2.449  -1.736  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4