REMARK  Name = BDB027573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046  -0.188  -2.188  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.901   0.825  -1.809  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.639   1.921  -0.877  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.965   2.683  -0.748  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -2.745   2.294  -2.006  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -2.240   0.903  -2.358  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.317  -1.012  -3.059  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.842  -0.500  -0.397  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.708  -0.289  -1.789  0.00  0.00    -0.029 A 
ATOM     10  C   LIG    1        4.894  -0.179  -2.710  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1        2.422  -0.182  -2.353  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        1.284  -0.270  -1.549  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        1.412  -0.505  -0.183  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.685  -0.609   0.387  0.00  0.00    +0.024 A 
BRANCH   8  16
ATOM     15  C   LIG    1        5.490  -0.799   1.475  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        5.143  -0.605   0.153  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        5.903  -0.527  -0.506  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        4.740  -0.909   2.436  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        7.508  -1.036   2.867  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        6.972  -0.864   1.652  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -2.722   2.480   0.490  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -3.572   3.036   0.528  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.129   1.215   0.869  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -4.411   1.128   1.249  0.00  0.00    -0.215 NA
ATOM     25  C   LIG    1       -4.874  -0.068   1.640  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -4.069  -1.208   1.664  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -4.579  -2.457   2.074  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -5.910  -2.566   2.466  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.722  -1.437   2.448  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -2.762  -1.004   1.261  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.199  -0.205   2.038  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1       -2.277   0.189   0.871  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5