REMARK  Name = BDB008509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.030  -0.131   0.222  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.145   0.267  -0.296  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.275  -0.057   0.358  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.247  -0.740   1.553  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.008  -1.099   2.015  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.132  -0.816   1.367  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.149   0.233  -0.523  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.840   0.737  -1.342  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.316  -0.372  -0.234  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        5.775   0.396  -1.267  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        4.389   0.577  -1.339  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.520  -0.008  -0.400  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.089  -0.783   0.617  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.474  -0.975   0.699  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1        8.273  -1.666   0.153  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        7.776  -0.589  -0.120  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.487   0.542  -0.309  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        7.948   1.355  -0.341  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -2.461   0.396  -0.222  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1       -2.239   0.953  -1.044  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.763  -0.139  -0.278  0.00  0.00    +0.075 A 
ATOM     22  C   LIG    1       -4.821   0.701  -0.689  0.00  0.00    +0.154 A 
ATOM     23  C   LIG    1       -6.133   0.235  -0.779  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1       -6.405  -1.073  -0.409  0.00  0.00    +0.127 A 
ATOM     25  F   LIG    1       -7.661  -1.532  -0.482  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -5.393  -1.919   0.029  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -4.076  -1.452   0.093  0.00  0.00    +0.030 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -4.524   1.985  -1.075  0.00  0.00    -0.404 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.888   2.916  -0.059  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1       -4.417   2.552   1.153  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -4.363   4.120  -0.373  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       -6.231   3.048   0.006  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 8