REMARK  Name = BDB007558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.325   1.466   0.431  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.416   0.961  -0.682  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.334   0.717  -1.498  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.434   0.043  -2.248  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.747   0.550  -1.210  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        3.762   0.251  -0.286  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        5.044  -0.117  -0.709  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        5.261  -0.241  -2.090  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.264   0.066  -3.019  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.007   0.473  -2.581  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1        6.073  -0.495   0.160  0.00  0.00    -0.339 N 
ATOM     12  H   LIG    1        6.987  -0.390  -0.275  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        6.056  -0.073   1.561  0.00  0.00    +0.098 C 
ATOM     14  C   LIG    1        6.318   1.420   1.763  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1        7.117   1.569   2.951  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1        7.382   0.261   3.472  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1        7.218  -0.694   2.314  0.00  0.00    +0.052 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -1.030   0.880  -1.013  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.000   1.054  -2.189  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.894  -0.074  -3.075  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -2.560   0.046  -3.773  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.460   1.303  -1.736  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.001   0.405  -0.698  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.304   0.921  -0.226  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.024   0.006   0.740  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.701  -1.359   0.819  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.403  -2.193   1.699  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.439  -1.680   2.479  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.776  -0.332   2.390  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.557  -1.904   0.007  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.074   0.507   1.524  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.159  -0.984  -1.157  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8