REMARK  Name = BDB062739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.186   0.266  -0.722  0.00  0.00    +0.103 A 
ATOM      2  N   LIG    1        0.283   1.223  -1.708  0.00  0.00    -0.356 N 
ATOM      3  H   LIG    1        1.139   1.512  -2.163  0.00  0.00    +0.165 HD
ATOM      4  C   LIG    1       -0.960   1.691  -2.035  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1       -1.904   1.016  -1.284  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.170   0.107  -0.469  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.502   0.179  -0.175  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1        2.543   1.134  -0.495  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.282  -0.469  -0.112  0.00  0.00    +0.265 C 
ATOM     10  O   LIG    1        1.103  -1.556   0.428  0.00  0.00    -0.268 OA
BRANCH   7  15
ATOM     11  C   LIG    1        7.205  -0.275   1.060  0.00  0.00    +0.172 C 
ATOM     12  N   LIG    1        5.802  -0.529   0.843  0.00  0.00    -0.273 N 
ATOM     13  N   LIG    1        5.286  -1.720   1.191  0.00  0.00    -0.178 NA
ATOM     14  C   LIG    1        3.993  -1.611   0.865  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.686  -0.352   0.302  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1        4.884   0.325   0.301  0.00  0.00    +0.131 A 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   5  17
ATOM     17  C   LIG    1       -3.343   1.239  -1.379  0.00  0.00    +0.199 C 
ATOM     18  O   LIG    1       -3.857   2.060  -2.132  0.00  0.00    -0.286 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -4.220   0.436  -0.525  0.00  0.00    +0.077 A 
ATOM     20  C   LIG    1       -4.500   0.908   0.755  0.00  0.00    +0.154 A 
ATOM     21  F   LIG    1       -3.946   2.053   1.183  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -5.344   0.184   1.595  0.00  0.00    +0.077 A 
ATOM     23 CL   LIG    1       -5.695   0.747   3.183  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -5.912  -1.012   1.153  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -5.632  -1.482  -0.134  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -4.785  -0.757  -0.978  0.00  0.00    +0.055 A 
ATOM     27 CL   LIG    1       -4.465  -1.391  -2.549  0.00  0.00    -0.083 Cl
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4