REMARK  Name = BDB007536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.602   0.843  -0.798  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.174   0.019  -0.325  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.239  -1.124   0.333  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.414  -1.555   0.974  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.644   0.243  -0.402  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.561  -0.814  -0.361  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -3.938  -0.561  -0.439  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.407   0.747  -0.560  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -3.487   1.798  -0.621  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.114   1.552  -0.546  0.00  0.00    +0.016 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -5.713   1.137  -0.648  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.748   0.165  -0.474  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -7.982   0.903   0.062  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -9.279   0.189  -0.302  0.00  0.00    +0.163 C 
ATOM     15  O   LIG    1       -9.044  -1.205  -0.472  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -8.244  -1.486  -1.624  0.00  0.00    +0.163 C 
ATOM     17  C   LIG    1       -7.096  -0.498  -1.803  0.00  0.00    +0.072 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.652  -1.338   0.616  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.084  -0.591   1.889  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.355  -1.129   3.014  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.606  -2.065   3.104  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.600  -0.710   2.173  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.497  -0.342   1.068  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.899  -0.628   1.439  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.912  -0.159   0.416  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.581   0.831  -0.525  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.545   1.272  -1.442  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.838   0.750  -1.410  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.175  -0.219  -0.468  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.174   1.366  -0.589  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        8.219  -0.668   0.444  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.372   1.076   0.688  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8