REMARK  Name = BDB007540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.443   0.535  -2.034  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.796  -0.494  -1.471  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1       -0.141  -1.042  -0.381  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.683  -1.645   0.229  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.005  -1.242  -1.918  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.150  -0.533  -1.992  0.00  0.00    -0.210 NA
ATOM      7  C   LIG    1       -4.237  -1.204  -2.373  0.00  0.00    +0.216 A 
ATOM      8  N   LIG    1       -4.244  -2.515  -2.656  0.00  0.00    -0.223 NA
ATOM      9  C   LIG    1       -3.074  -3.178  -2.575  0.00  0.00    +0.116 A 
ATOM     10  C   LIG    1       -1.901  -2.586  -2.198  0.00  0.00    +0.053 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.464  -0.569  -2.467  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1       -6.170  -1.296  -2.476  0.00  0.00    +0.149 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.700   0.567  -1.580  0.00  0.00    +0.077 C 
ATOM     14  C   LIG    1       -6.963   1.310  -2.046  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -8.176   0.866  -1.243  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -8.040   1.130   0.154  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -6.706   1.065   0.661  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -5.828   0.102  -0.120  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.901  -0.278   0.291  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.556  -1.104   1.408  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.520  -1.578   2.291  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.947  -2.177   2.928  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.575  -0.268   2.211  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.787   0.062   1.448  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.429   1.271   2.006  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.779   1.589   1.395  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.529   0.594   0.743  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.800   0.897   0.235  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.331   2.179   0.389  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.595   3.166   1.040  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.936  -0.774   0.528  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.326   2.873   1.545  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.751  -1.053   1.462  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8