REMARK  Name = BDB007524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.298   0.374   3.334  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.731   0.783   2.263  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.006   1.578   1.402  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.479   2.027   0.629  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.119   0.453   1.843  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.471   0.319   0.490  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.783  -0.001   0.098  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.737  -0.135   1.112  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.393  -0.027   2.465  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.082   0.257   2.832  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.057  -0.049  -1.263  0.00  0.00    -0.339 N 
ATOM     12  H   LIG    1       -3.244  -0.323  -1.811  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.315  -0.449  -1.898  0.00  0.00    +0.098 C 
ATOM     14  C   LIG    1       -5.899  -1.792  -1.462  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1       -7.284  -1.568  -1.142  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -7.667  -0.328  -1.747  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -6.438   0.551  -1.714  0.00  0.00    +0.052 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.335   2.040   1.723  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.443   1.192   1.063  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.585   2.044   0.917  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        4.147   1.643   0.231  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.779  -0.057   1.914  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.689  -1.087   1.395  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.083  -0.710   1.190  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.443  -0.340  -0.233  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.620  -0.699  -1.315  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        4.992  -0.345  -2.619  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.183   0.343  -2.851  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.009   0.684  -1.784  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.314  -1.415  -1.080  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.644   0.342  -0.482  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.171  -1.958   0.346  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8