REMARK  Name = LIG001700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.707  -4.660  -0.739  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.117  -3.312  -1.002  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.254  -2.239  -1.253  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -2.031  -1.109  -1.506  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.458   0.115  -1.792  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.054   0.209  -1.808  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.714  -0.957  -1.575  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -3.381  -1.483  -1.401  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.121  -2.194  -1.286  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.450  -2.866  -1.114  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.462  -3.539  -0.992  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        0.537   1.450  -2.130  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1       -0.140   2.203  -2.218  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        1.805   1.970  -1.761  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        2.242   3.153  -2.338  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        1.304   4.067  -3.451  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        3.487   3.583  -1.957  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1        4.267   2.926  -1.075  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        3.790   1.786  -0.550  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1        2.582   1.300  -0.883  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1        4.589   1.063   0.348  0.00  0.00    -0.299 N 
ATOM     22  C   LIG    1        3.813   0.198   1.243  0.00  0.00    +0.114 C 
ATOM     23  C   LIG    1        4.746  -0.717   2.020  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1        5.813   0.100   2.710  0.00  0.00    +0.252 C 
ATOM     25  F   LIG    1        6.671  -0.734   3.352  0.00  0.00    -0.206 F 
ATOM     26  F   LIG    1        5.244   0.870   3.674  0.00  0.00    -0.206 F 
ATOM     27  C   LIG    1        6.588   0.976   1.755  0.00  0.00    +0.094 C 
ATOM     28  C   LIG    1        5.634   1.872   0.982  0.00  0.00    +0.114 C 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  29
ATOM     29  C   LIG    1       -4.518  -0.647  -1.692  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.462  -0.409  -0.507  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.964   0.552   0.590  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -6.148   0.947   1.486  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -3.859  -0.049   1.461  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -4.467   1.744  -0.025  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -4.193   2.349   0.687  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 7