REMARK  Name = LIG000954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.011  -1.570  -0.963  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.594  -2.368  -0.728  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.537  -0.343  -0.500  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.842  -0.326   0.027  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.365   0.884   0.440  0.00  0.00    +0.072 A 
ATOM      6  N   LIG    1       -3.613   1.190   1.004  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.685   2.584   1.228  0.00  0.00    +0.330 A 
ATOM      8  N   LIG    1       -2.445   3.112   0.813  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -2.078   4.498   0.840  0.00  0.00    +0.154 C 
ATOM     10  O   LIG    1       -4.635   3.202   1.684  0.00  0.00    -0.246 OA
ATOM     11  C   LIG    1       -1.645   2.072   0.326  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1       -0.378   2.100  -0.209  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        0.166   0.879  -0.630  0.00  0.00    +0.025 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -4.696   0.265   1.227  0.00  0.00    +0.130 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.519   0.030  -0.043  0.00  0.00    +0.056 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.754  -0.874   0.141  0.00  0.00    +0.062 C 
ATOM     17  C   LIG    1       -6.423  -2.217   0.796  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1       -7.408  -1.118  -1.224  0.00  0.00    +0.041 C 
BRANCH  16  19
ATOM     19  O   LIG    1       -7.732  -0.208   0.940  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -7.387  -0.084   1.840  0.00  0.00    +0.210 HD
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  23
ATOM     21  C   LIG    1        3.615  -1.589  -0.793  0.00  0.00    +0.220 A 
ATOM     22  N   LIG    1        2.339  -1.198  -0.641  0.00  0.00    -0.198 NA
ATOM     23  C   LIG    1        1.341  -1.984  -1.097  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        1.616  -3.187  -1.732  0.00  0.00    +0.099 A 
ATOM     25 CL   LIG    1        0.397  -4.244  -2.324  0.00  0.00    -0.078 Cl
ATOM     26  C   LIG    1        2.943  -3.513  -1.855  0.00  0.00    +0.137 A 
ATOM     27  N   LIG    1        3.946  -2.739  -1.398  0.00  0.00    -0.221 NA
BRANCH  21  35
ATOM     28  C   LIG    1        8.207   0.069  -1.227  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        6.772   0.272  -0.747  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1        6.722   0.929   0.626  0.00  0.00    +0.254 C 
ATOM     31  F   LIG    1        7.050   2.244   0.487  0.00  0.00    -0.205 F 
ATOM     32  F   LIG    1        7.680   0.394   1.433  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        5.391   0.823   1.348  0.00  0.00    +0.094 C 
ATOM     34  C   LIG    1        4.272   0.451   0.389  0.00  0.00    +0.114 C 
ATOM     35  N   LIG    1        4.619  -0.784  -0.300  0.00  0.00    -0.299 N 
ATOM     36  C   LIG    1        5.997  -1.041  -0.705  0.00  0.00    +0.117 C 
ENDBRANCH  21  35
ENDBRANCH   1  23
TORSDOF 7