REMARK  Name = LIG001867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.987   2.684  -0.099  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1       -1.550   1.378   0.021  0.00  0.00    +0.172 A 
ATOM      3  C   LIG    1       -0.178   1.439  -0.133  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        0.520   0.226  -0.048  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1       -0.202  -0.900   0.174  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -1.546  -0.857   0.305  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1        0.252   2.730  -0.334  0.00  0.00    -0.230 NA
ATOM      8  N   LIG    1       -2.276   0.270   0.240  0.00  0.00    -0.194 NA
ATOM      9  C   LIG    1       -0.854   3.445  -0.311  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.020   5.545  -0.046  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -5.103   4.432   0.001  0.00  0.00    -0.272 N 
ATOM     12  N   LIG    1       -5.580   3.192   0.209  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1       -4.487   2.422   0.195  0.00  0.00    +0.160 A 
ATOM     14  C   LIG    1       -3.316   3.170  -0.023  0.00  0.00    +0.087 A 
ATOM     15  C   LIG    1       -3.744   4.475  -0.145  0.00  0.00    +0.134 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1       -2.211  -2.041   0.556  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -1.554  -3.314   0.239  0.00  0.00    +0.136 C 
ATOM     18  C   LIG    1       -2.473  -4.175  -0.644  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -3.751  -4.458  -0.056  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1       -4.210  -3.432   0.839  0.00  0.00    +0.179 C 
ATOM     21  C   LIG    1       -3.675  -2.033   0.500  0.00  0.00    +0.136 C 
ENDBRANCH   6  16
BRANCH   4  22
ATOM     22  N   LIG    1        1.913   0.171  -0.207  0.00  0.00    -0.320 N 
ATOM     23  H   LIG    1        2.287   1.112  -0.080  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.557  -0.816   0.655  0.00  0.00    +0.177 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.034  -0.904   0.423  0.00  0.00    +0.125 A 
ATOM     26  N   LIG    1        4.551  -0.967  -0.849  0.00  0.00    -0.338 N 
ATOM     27  H   LIG    1        4.005  -0.938  -1.700  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1        5.913  -1.038  -0.750  0.00  0.00    +0.105 A 
ATOM     29  C   LIG    1        6.168  -1.012   0.615  0.00  0.00    +0.092 A 
ATOM     30  C   LIG    1        7.497  -1.071   1.069  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1        8.531  -1.152   0.125  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        8.240  -1.175  -1.238  0.00  0.00    +0.161 A 
ATOM     33  F   LIG    1        9.251  -1.253  -2.115  0.00  0.00    -0.202 F 
ATOM     34  C   LIG    1        6.926  -1.117  -1.700  0.00  0.00    +0.184 A 
ATOM     35  F   LIG    1        6.648  -1.139  -3.010  0.00  0.00    -0.200 F 
ATOM     36  N   LIG    1        4.997  -0.927   1.326  0.00  0.00    -0.231 NA
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 5