REMARK  Name = BDB032712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.530   0.590  -2.099  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.284   1.064  -2.481  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.884   1.328  -3.598  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.487   1.194  -1.256  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.248   0.719  -0.191  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.733   0.734   1.091  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.439   1.239   1.276  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.339   1.707   0.188  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.205   1.689  -1.104  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.567   0.232  -0.687  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.221  -1.241  -6.549  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.663  -0.784  -5.555  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.765  -1.535  -4.838  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.574  -2.460  -5.200  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.211  -1.245  -3.612  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.572  -2.102  -3.003  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.559   0.132  -3.026  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.868   1.127  -4.143  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.995   0.584  -5.007  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.725   2.262   0.419  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.457   1.363   1.257  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.733   1.742   1.485  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        4.465   0.917   2.297  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        5.392   1.300   2.437  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        4.244   2.760   1.027  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.160  -0.292   2.949  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        5.178  -0.841   3.754  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1        4.983  -2.038   4.453  0.00  0.00    +0.131 A 
ATOM     29  C   LIG    1        3.751  -2.682   4.366  0.00  0.00    +0.084 A 
ATOM     30  C   LIG    1        2.750  -2.146   3.567  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        1.572  -2.777   3.480  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        2.944  -0.965   2.856  0.00  0.00    +0.062 A 
BRANCH  28  33
ATOM     33  O   LIG    1        5.894  -2.651   5.268  0.00  0.00    -0.434 OA
BRANCH  33  34
ATOM     34  C   LIG    1        7.251  -2.271   5.107  0.00  0.00    +0.541 C 
ATOM     35  F   LIG    1        7.433  -1.034   5.631  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        8.001  -3.121   5.850  0.00  0.00    -0.166 F 
ENDBRANCH  33  34
ENDBRANCH  28  33
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7