REMARK  Name = BDB036421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.349  -0.138  -0.163  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.806  -1.070   0.751  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.667  -0.940   1.597  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.008  -2.285   0.557  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.035  -2.021  -0.406  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.122  -3.005  -0.778  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.228  -4.254  -0.137  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.217  -4.502   0.834  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.124  -3.506   1.193  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.159  -0.604  -0.863  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.098   2.975   2.781  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.430   2.454   1.891  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -3.066   2.570   1.891  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -2.674   3.033   2.698  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -2.161   1.992   1.037  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -0.955   2.030   1.287  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.721   1.272  -0.192  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.196   1.565  -0.458  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.061   1.643   0.787  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.956  -2.746  -1.793  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.019  -1.953  -1.218  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.542  -2.365  -0.453  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.248  -0.647  -1.580  0.00  0.00    +0.247 C 
ATOM     24  O   LIG    1        1.600  -0.079  -2.454  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.309   0.101  -0.850  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        4.119  -0.486   0.124  0.00  0.00    +0.154 A 
ATOM     27  F   LIG    1        3.972  -1.783   0.441  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1        5.091   0.270   0.781  0.00  0.00    +0.077 A 
ATOM     29 CL   LIG    1        6.090  -0.453   1.984  0.00  0.00    -0.081 Cl
ATOM     30  C   LIG    1        5.267   1.619   0.473  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        4.471   2.231  -0.507  0.00  0.00    +0.057 A 
ATOM     32  C   LIG    1        3.491   1.462  -1.157  0.00  0.00    +0.028 A 
BRANCH  31  33
ATOM     33  C   LIG    1        4.646   3.698  -0.824  0.00  0.00    +0.417 C 
ATOM     34  F   LIG    1        4.018   4.497   0.078  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        4.159   4.046  -2.046  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        5.953   4.079  -0.821  0.00  0.00    -0.166 F 
ENDBRANCH  31  33
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5