REMARK  Name = BDB018767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.988   1.565  -0.466  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -3.336   0.299  -0.906  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -3.307  -0.592   0.345  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -3.310  -2.049  -0.097  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.337  -2.709  -0.242  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.099  -2.587  -0.443  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -2.130  -3.511  -0.857  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.866  -1.997  -0.157  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.815  -0.850   0.638  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        0.427  -0.278   0.942  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.618  -0.840   0.451  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        1.539  -1.993  -0.345  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.304  -2.575  -0.642  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.086  -0.302   1.233  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.615  -0.184   1.033  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -4.710   1.319   0.807  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.920  -0.231   0.760  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.552  -0.375   2.008  0.00  0.00    +0.049 A 
ATOM     19 CL   LIG    1        2.851  -1.304   3.289  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        4.789   0.227   2.251  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        5.409   0.977   1.251  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        4.806   1.135   0.002  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1        3.568   0.532  -0.236  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  O   LIG    1        5.525   1.892  -0.878  0.00  0.00    -0.406 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.990   2.094  -2.175  0.00  0.00    +0.575 C 
ATOM     26  F   LIG    1        3.807   2.741  -2.115  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        5.851   2.854  -2.886  0.00  0.00    -0.133 F 
ATOM     28  F   LIG    1        4.831   0.920  -2.822  0.00  0.00    -0.133 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  11  17
BRANCH   1  30
ATOM     29  N   LIG    1       -4.353   3.548  -1.937  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -4.184   2.629  -1.255  0.00  0.00    +0.169 C 
ENDBRANCH   1  30
TORSDOF 4