REMARK  Name = BDB059014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585   0.978  -2.351  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -0.086   1.339  -3.589  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1       -0.890   1.662  -4.611  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1        1.275   1.368  -3.721  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1        2.119   1.065  -2.716  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.580   0.714  -1.534  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1        0.248   0.667  -1.338  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        2.429   0.428  -0.464  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        3.766  -0.031  -0.870  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1        4.679  -0.227   0.362  0.00  0.00    +0.103 C 
ATOM     11  N   LIG    1        4.085  -1.123   1.377  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1        4.969  -1.252   2.532  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1        2.772  -0.576   1.785  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        1.806  -0.384   0.594  0.00  0.00    +0.123 C 
ENDBRANCH   6   8
BRANCH   1  15
ATOM     15  N   LIG    1       -1.995   0.907  -2.193  0.00  0.00    -0.297 N 
ATOM     16  H   LIG    1       -2.435   1.672  -2.694  0.00  0.00    +0.154 HD
BRANCH  15  21
ATOM     17  C   LIG    1       -4.378  -0.449   1.054  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1       -3.070  -0.925   0.889  0.00  0.00    +0.084 A 
ATOM     19 CL   LIG    1       -2.386  -2.078   1.985  0.00  0.00    -0.080 Cl
ATOM     20  C   LIG    1       -2.273  -0.486  -0.175  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -2.746   0.459  -1.089  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -4.066   0.906  -0.937  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -4.871   0.468   0.123  0.00  0.00    +0.049 A 
BRANCH  17  25
ATOM     24  C   LIG    1       -6.406  -0.443   2.316  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.086  -0.931   2.123  0.00  0.00    -0.494 OA
ENDBRANCH  17  25
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 4