REMARK  Name = BDB004917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.955  -2.021  -0.302  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.142  -0.880  -0.468  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.327  -0.499   0.616  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.530   0.652   0.437  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.522   1.343  -0.712  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.315   0.896  -1.684  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.324  -1.264   1.810  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.130  -2.385   1.951  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.126  -0.166  -1.616  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -2.947  -2.759   0.898  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -3.918  -1.882  -2.561  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.332  -1.070  -2.734  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.528  -2.227  -3.288  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.876  -2.534  -1.365  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -4.585  -3.518  -1.181  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.284   1.097   1.503  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.321   1.288   2.297  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.160   2.232   1.228  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.426   1.783   0.537  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        2.708   2.189  -0.777  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        3.875   1.762  -1.413  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1        4.199   2.268  -3.026  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        4.777   0.931  -0.757  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        4.495   0.527   0.541  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1        5.355  -0.277   1.181  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        3.336   0.941   1.191  0.00  0.00    +0.043 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4