REMARK  Name = BDB032693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.830   0.780  -0.195  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.837  -0.012   0.353  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.895  -1.181   0.676  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.658   0.843   0.528  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.003   2.138   0.151  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.068   3.154   0.218  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.220   2.839   0.671  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.562   1.524   1.065  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -0.398   0.505   0.985  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.433   2.180  -0.268  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.573  -3.326   0.949  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.151  -2.252   0.527  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.343  -1.101   1.245  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.779  -1.224   2.148  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.903   0.166   0.961  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.023   1.072   1.787  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.220   0.382  -0.390  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.450  -0.757  -1.379  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.388  -2.145  -0.769  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.960   1.208   1.537  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.656   0.594   0.450  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.948   0.287   0.733  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1        4.493  -0.301  -0.374  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.840  -0.386  -1.142  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1        4.486   0.516   1.804  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1        5.801  -0.784  -0.551  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        6.111  -1.353  -1.794  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        7.393  -1.853  -2.041  0.00  0.00    +0.045 A 
ATOM     29 CL   LIG    1        7.754  -2.547  -3.574  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        8.376  -1.795  -1.062  0.00  0.00    +0.058 A 
ATOM     31  C   LIG    1        8.062  -1.231   0.166  0.00  0.00    +0.127 A 
ATOM     32  F   LIG    1        9.003  -1.170   1.117  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        6.790  -0.727   0.432  0.00  0.00    +0.061 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5