REMARK  Name = BDB019039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.423   0.452   0.140  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        1.869   0.338  -1.164  0.00  0.00    +0.097 A 
ATOM      3  N   LIG    1        0.502   0.488  -1.269  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.189   0.403  -2.599  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1        1.250   0.149  -3.334  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.330   0.718  -0.160  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.191   0.843   1.032  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.305   0.113  -2.453  0.00  0.00    +0.155 A 
ATOM      9 CL   LIG    1        3.899  -0.167  -2.976  0.00  0.00    -0.060 Cl
ATOM     10  C   LIG    1        1.560   0.705   1.149  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        7.952   0.162   1.432  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1        6.491   0.232   1.116  0.00  0.00    +0.126 A 
ATOM     13  N   LIG    1        5.800  -0.924   1.102  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1        4.485  -0.862   0.780  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        3.752  -2.173   0.770  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1        3.849   0.335   0.474  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        4.659   1.456   0.512  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        5.970   1.436   0.828  0.00  0.00    -0.240 NA
ENDBRANCH   1  16
BRANCH   6  19
ATOM     19  N   LIG    1       -1.692   0.837  -0.317  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.061   1.265   0.531  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.476  -0.363  -0.593  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.908   0.016  -0.820  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.813   0.199   0.221  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.622   0.113   1.690  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.084   0.137   2.135  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.882   0.750   1.097  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.121   0.595  -0.033  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.588   0.830  -1.310  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.699   0.648  -2.369  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.380   0.248  -2.119  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.550   0.093  -3.161  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4