REMARK  Name = BDB007522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.551  -2.444  -1.541  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.129  -1.516  -0.985  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.737  -1.007   0.237  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -1.005  -0.055   0.457  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.285  -0.845  -1.640  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.284  -0.198  -0.893  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -4.375   0.413  -1.521  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.404   0.408  -2.925  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.426  -0.247  -3.678  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.371  -0.885  -3.034  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.364   1.129  -0.844  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1       -6.210   1.224  -1.403  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.640   0.930   0.585  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1       -6.512   2.090   1.092  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -7.979   1.694   1.114  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -8.235   0.583   1.973  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -7.181  -0.374   2.065  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -6.319  -0.426   0.815  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.493  -1.464   0.863  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.718  -0.748   0.280  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.654   0.645   0.636  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        2.580   0.958   0.552  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.028  -1.343   0.838  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.202  -0.522   0.459  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.355  -0.884   1.314  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.649  -0.210   0.911  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.824   0.297  -0.388  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        8.042   0.888  -0.748  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        9.091   0.952   0.168  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.929   0.432   1.450  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.680   0.262  -1.368  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.716  -0.149   1.819  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.576  -0.722  -0.954  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8