REMARK  Name = BDB045870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.488  -1.335  -0.317  0.00  0.00    +0.188 A 
ATOM      2  N   LIG    1        0.742  -2.416  -0.743  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.599  -2.105  -0.492  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -1.570  -3.078  -0.884  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.174  -4.238  -1.443  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.228  -4.537  -1.669  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -0.576  -0.855   0.100  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1        1.147  -3.624  -1.321  0.00  0.00    +0.093 A 
ATOM      9  N   LIG    1        0.711  -0.399   0.200  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -1.595  -0.080   0.557  0.00  0.00    -0.311 N 
ATOM     11  C   LIG    1       -2.996  -0.504   0.489  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1       -3.950   0.480   1.200  0.00  0.00    +0.145 C 
ATOM     13  C   LIG    1       -3.750   1.921   0.714  0.00  0.00    +0.129 C 
ATOM     14  C   LIG    1       -2.271   2.271   0.483  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -1.314   1.252   1.097  0.00  0.00    +0.107 C 
BRANCH  12  16
ATOM     16  O   LIG    1       -3.755   0.470   2.628  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -3.363  -0.390   2.871  0.00  0.00    +0.210 HD
ENDBRANCH  12  16
BRANCH  13  18
ATOM     18  C   LIG    1       -4.542   2.157  -0.558  0.00  0.00    +0.310 C 
ATOM     19  O   LIG    1       -5.015   1.278  -1.264  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -4.689   3.474  -0.853  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1       -4.276   4.074  -0.200  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH   7  10
BRANCH   1  23
ATOM     22  O   LIG    1        3.695  -1.942  -1.006  0.00  0.00    -0.283 OA
ATOM     23  C   LIG    1        2.924  -1.177  -0.428  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.525   0.043   0.150  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        3.976   1.065  -0.708  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        4.571   2.207  -0.141  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        4.710   2.326   1.243  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.266   1.304   2.080  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        3.679   0.158   1.539  0.00  0.00    +0.052 A 
ATOM     30 CL   LIG    1        3.202  -1.089   2.635  0.00  0.00    -0.083 Cl
BRANCH  25  31
ATOM     31  C   LIG    1        3.846   0.948  -2.206  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1        3.969   2.154  -2.837  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        2.644   0.454  -2.609  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        4.798   0.151  -2.761  0.00  0.00    -0.166 F 
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7