REMARK  Name = BDB049973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.303  -2.092   0.177  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        0.727  -0.952   0.157  0.00  0.00    +0.116 C 
ATOM      3  N   LIG    1        1.699  -1.310   1.188  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        3.036  -0.940   1.239  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        3.838  -1.588   1.910  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.250  -2.472   1.937  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.236  -2.577   1.631  0.00  0.00    +0.028 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -3.985  -2.565  -3.221  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -3.442  -1.914  -1.982  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -2.183  -2.273  -1.486  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.676  -1.699  -0.311  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -2.464  -0.756   0.369  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -3.736  -0.394  -0.100  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.216  -0.983  -1.276  0.00  0.00    +0.012 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.548   0.581   0.609  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -4.550   0.776   1.975  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -5.461   1.763   2.221  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -5.822   2.313   3.505  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -6.058   2.230   1.111  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -5.505   1.507   0.133  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.450   0.211   0.479  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        2.740   1.365   0.304  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        1.830   1.596   0.685  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        3.357   2.284  -0.454  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        4.551   1.739  -0.717  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.662   0.452  -0.141  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        5.567   2.493  -1.527  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        5.913   1.756  -2.823  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        6.833   2.779  -0.718  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4