REMARK  Name = BDB032691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.572  -0.022  -0.255  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.467  -0.634  -0.828  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.357  -1.077  -1.955  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.415  -0.654   0.193  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.940  -0.118   1.367  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.151  -0.015   2.498  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.175  -0.463   2.422  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.700  -1.019   1.232  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.113  -1.109   0.092  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.369   0.258   1.162  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.002   0.015  -0.968  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.778  -0.014  -1.040  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.079  -1.158  -0.748  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.645  -1.918  -0.396  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.752  -1.215  -0.384  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.338  -2.144   0.306  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.884  -0.050  -0.890  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.650   1.256  -0.703  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.964   1.185  -1.467  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        2.135  -1.479   1.173  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.903  -0.424   0.589  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.230  -0.696   0.502  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        4.842   0.377  -0.082  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        4.197   1.118  -0.322  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        4.741  -1.734   0.893  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        6.204   0.554  -0.377  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.576   1.760  -0.985  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        7.914   2.005  -1.306  0.00  0.00    +0.078 A 
ATOM     29 CL   LIG    1        8.344   3.496  -2.053  0.00  0.00    -0.081 Cl
ATOM     30  C   LIG    1        8.883   1.048  -1.021  0.00  0.00    +0.142 A 
ATOM     31  F   LIG    1       10.172   1.264  -1.321  0.00  0.00    -0.204 F 
ATOM     32  C   LIG    1        8.527  -0.152  -0.418  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        7.188  -0.400  -0.096  0.00  0.00    +0.026 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5