REMARK  Name = LIG001144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.047   0.715  -0.101  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.750  -0.597  -0.424  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.515  -1.502  -0.690  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.292  -0.733  -0.354  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.764   0.481   0.075  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.396   0.637   0.234  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.441  -0.453  -0.043  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -0.120  -1.677  -0.475  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.502  -1.827  -0.633  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.865   1.457   0.318  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.692  -1.249  -0.265  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.715  -0.506  -0.201  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.189  -0.153   1.014  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.614  -0.600   1.814  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.073   0.600   1.275  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.629   0.688   2.421  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.386   1.263   0.081  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.256   1.305  -1.173  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.036   0.030  -1.436  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        1.846  -0.407   0.079  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        2.335  -1.266  -0.139  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.615   0.650   0.517  0.00  0.00    +0.248 C 
ATOM     23  O   LIG    1        2.222   1.730   0.940  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.074   0.362   0.515  0.00  0.00    +0.052 C 
ATOM     25  C   LIG    1        4.832   0.850   1.713  0.00  0.00    +0.269 C 
ATOM     26  O   LIG    1        6.126   0.250   1.907  0.00  0.00    -0.487 OA
ATOM     27  C   LIG    1        6.776  -0.172   0.779  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1        6.121  -0.419  -0.434  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        6.856  -0.879  -1.532  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        8.232  -1.092  -1.415  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        8.869  -0.854  -0.197  0.00  0.00    +0.021 A 
ATOM     32 BR   LIG    1       10.729  -1.155  -0.040  0.00  0.00    -0.050 Br
ATOM     33  C   LIG    1        8.147  -0.400   0.903  0.00  0.00    +0.061 A 
ATOM     34  C   LIG    1        4.679  -0.226  -0.527  0.00  0.00    +0.023 C 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3