REMARK  Name = BDB012749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.063  -1.589   0.980  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        1.489  -1.229   0.530  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.846  -2.202  -0.498  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.821  -2.084  -1.474  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.817  -2.834  -2.452  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.785  -3.178  -0.665  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.043  -3.071   0.607  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -3.229   0.213   0.359  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -2.219  -0.527   0.983  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -1.020  -0.764   0.314  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -0.800  -0.315  -0.942  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -1.774   0.400  -1.550  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -1.501   0.884  -2.942  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -2.987   0.683  -0.936  0.00  0.00    +0.031 A 
BRANCH   8  19
ATOM     15  C   LIG    1       -8.245   1.292   3.070  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.962   1.011   2.345  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -6.183   2.061   1.850  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.972   1.799   1.200  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -4.504   0.486   1.041  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -5.287  -0.559   1.556  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -6.499  -0.300   2.204  0.00  0.00    +0.004 A 
ENDBRANCH   8  19
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        3.852  -1.081  -1.347  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        4.621  -0.748  -2.432  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        4.548  -1.142  -3.365  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        5.544   0.198  -2.192  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        5.398   0.465  -0.890  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        4.364  -0.316  -0.317  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1        6.271   1.473  -0.200  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        6.086   2.877  -0.780  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        7.746   1.066  -0.233  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4