REMARK  Name = BDB012811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.987  -0.087   0.147  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.051   0.969  -0.442  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.277   0.596   0.037  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.400   0.903  -0.718  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.302   1.487  -1.795  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.179  -0.403   1.095  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.297  -0.431   1.471  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.178   2.871   2.350  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.924   1.812   1.319  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.658   1.352   1.201  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.407   0.392   0.282  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.404  -0.124  -0.541  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.716   0.350  -0.423  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.968   1.340   0.531  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.792  -0.173  -1.277  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -6.077  -1.543  -1.325  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -7.103  -1.988  -2.144  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -7.856  -1.175  -2.913  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -7.570   0.142  -2.860  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -6.567   0.682  -2.070  0.00  0.00    +0.028 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.681   0.492  -0.205  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        4.123   0.675   1.074  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        3.635   1.128   1.838  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        5.355   0.194   1.305  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        5.766  -0.230   0.102  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.761  -0.047  -0.876  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        7.138  -0.808  -0.094  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        8.235   0.211   0.222  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        7.338  -2.086   0.722  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4