REMARK  Name = LIG000111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.614   0.545   0.052  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.256   0.365  -1.276  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.979   0.280  -2.249  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.792   0.267  -1.310  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.325   0.297  -0.001  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.035   0.208   0.257  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.927   0.097  -0.825  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.425   0.068  -2.142  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.949   0.151  -2.395  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.472   0.404   0.945  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.992  -0.536   0.576  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.807  -0.229   0.484  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.825  -1.187   0.520  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.143  -2.143   0.594  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.465  -0.998   0.607  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.718  -1.951   0.826  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.982   0.460   0.553  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.977   1.327  -0.218  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.351   1.210   0.425  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        2.299   0.005  -0.505  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1        2.523   0.018   0.478  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        3.376  -0.031  -1.382  0.00  0.00    +0.268 C 
ATOM     23  O   LIG    1        3.295   0.070  -2.601  0.00  0.00    -0.268 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.686  -0.186  -0.716  0.00  0.00    +0.144 A 
ATOM     25  N   LIG    1        5.883   0.062  -1.373  0.00  0.00    -0.223 NA
ATOM     26  C   LIG    1        6.839  -0.187  -0.509  0.00  0.00    +0.138 A 
ATOM     27  N   LIG    1        6.320  -0.598   0.710  0.00  0.00    -0.304 N 
ATOM     28  C   LIG    1        7.105  -0.932   1.809  0.00  0.00    +0.112 A 
ATOM     29  C   LIG    1        8.441  -0.856   1.696  0.00  0.00    +0.058 A 
ATOM     30  C   LIG    1        9.028  -0.428   0.435  0.00  0.00    +0.025 A 
ATOM     31 CL   LIG    1        9.477  -1.251   3.007  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        8.256  -0.108  -0.622  0.00  0.00    +0.048 A 
ATOM     33  C   LIG    1        4.952  -0.597   0.583  0.00  0.00    +0.125 A 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3