REMARK  Name = BDB036405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.026  -1.135  -0.246  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.112  -2.038  -1.292  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.806  -3.034  -1.368  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.190  -1.570  -2.332  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.628  -0.363  -1.912  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.269   0.318  -2.729  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.597  -0.277  -3.963  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.023  -1.498  -4.366  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.889  -2.158  -3.545  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.164  -0.003  -0.563  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.159   0.558   3.928  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.538  -0.002   3.030  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.909   0.141   1.717  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.660   0.799   1.554  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.133  -0.140   0.614  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.387   0.383  -0.469  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.979  -1.127   0.857  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.320  -0.804   2.195  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.355  -0.901   3.304  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.891   1.623  -2.316  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.070   1.398  -1.509  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.812   0.860  -1.932  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.088   1.656  -0.157  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.128   2.103   0.461  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.344   1.323   0.569  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.591   1.319  -0.066  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        5.734   1.006   0.667  0.00  0.00    +0.142 A 
ATOM     28  F   LIG    1        6.916   1.006   0.035  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        5.655   0.704   2.026  0.00  0.00    +0.076 A 
ATOM     30 CL   LIG    1        7.070   0.316   2.924  0.00  0.00    -0.081 Cl
ATOM     31  C   LIG    1        4.418   0.721   2.667  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        3.265   1.035   1.940  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4