REMARK  Name = BDB022472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.598  -0.464  -1.492  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.077   0.840  -1.539  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.806   1.243  -2.556  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1        1.156   0.329  -3.556  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.647  -0.967  -3.528  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.218  -1.360  -2.504  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.276  -1.658   1.673  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -3.601  -1.899   0.339  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -2.732  -1.506  -0.689  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.509  -0.877  -0.411  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -1.180  -0.664   0.936  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.046  -1.059   1.962  0.00  0.00    +0.024 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -5.377  -2.423   2.876  0.00  0.00    +0.241 C 
ATOM     14  N   LIG    1       -4.073  -2.036   2.768  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1       -3.598  -2.111   3.660  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -5.761  -2.988   3.899  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1       -7.473  -2.751   1.649  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -6.333  -2.066   1.800  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1        1.369   2.647  -2.563  0.00  0.00    +0.131 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.154   3.014  -1.308  0.00  0.00    +0.223 C 
ATOM     21  N   LIG    1        3.090   2.058  -0.960  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        3.131   1.204  -1.497  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1        1.945   4.090  -0.754  0.00  0.00    -0.275 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.942   2.127   0.120  0.00  0.00    +0.147 A 
ATOM     25  N   LIG    1        4.027   3.139   0.981  0.00  0.00    -0.158 NA
ATOM     26  N   LIG    1        4.977   2.773   1.849  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1        5.205   3.414   2.601  0.00  0.00    +0.189 HD
ATOM     28  C   LIG    1        5.520   1.548   1.581  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1        6.585   0.952   2.415  0.00  0.00    +0.065 C 
ATOM     30  C   LIG    1        4.861   1.101   0.457  0.00  0.00    +0.068 A 
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6