REMARK  Name = BDB017172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.020  -0.229  -0.157  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1       -0.821  -0.322  -1.000  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1        0.430  -0.079  -0.132  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1        0.374  -0.850   1.198  0.00  0.00    +0.014 C 
ATOM      5  C   LIG    1       -0.710  -1.920   1.182  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -2.081  -1.339   0.809  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.690  -0.438  -0.916  0.00  0.00    +0.167 C 
ATOM      8  O   LIG    1        1.670  -1.250  -1.841  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1        2.998   0.198  -0.552  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        4.117  -0.087  -1.352  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.363   0.475  -1.063  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        5.500   1.325   0.030  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        7.031   2.019   0.390  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        4.400   1.616   0.835  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.151   1.054   0.547  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  C   LIG    1       -3.240  -0.132  -0.972  0.00  0.00    +0.084 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -4.428   1.504   0.585  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -4.509   0.182  -0.166  0.00  0.00    +0.012 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4