REMARK  Name = BDB007596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.305  -0.156   1.756  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.626   0.443   1.229  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.485   1.653   0.586  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -1.307   2.166   0.297  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.001  -0.123   1.287  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.961   0.149   0.304  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -4.244  -0.402   0.391  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.561  -1.237   1.462  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.602  -1.526   2.437  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.324  -0.975   2.348  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -5.075  -0.051  -0.636  0.00  0.00    -0.487 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.415  -0.537  -0.623  0.00  0.00    +0.188 C 
ATOM     13  C   LIG    1       -6.538  -1.979  -1.139  0.00  0.00    +0.125 C 
ATOM     14  N   LIG    1       -7.452  -1.963  -2.297  0.00  0.00    -0.312 NA
ATOM     15  H   LIG    1       -6.882  -1.886  -3.143  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -8.230  -0.729  -2.156  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1       -7.224   0.271  -1.633  0.00  0.00    +0.061 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.790   2.348   0.505  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.553   2.069  -0.796  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.537   3.102  -0.987  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        3.369   2.705  -0.647  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.259   0.696  -0.900  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.605   0.710  -0.271  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.544  -0.101  -1.081  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.908  -0.266  -0.446  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.080  -0.112   0.940  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.345  -0.301   1.511  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.430  -0.666   0.715  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.259  -0.840  -0.657  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.917   0.318   1.796  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.005  -0.644  -1.235  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.564   0.141   1.092  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8