REMARK  Name = LIG000087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.976  -0.607  -0.989  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.336  -1.378  -1.948  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.784  -2.315  -2.579  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.970  -0.858  -2.068  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.848   0.242  -1.222  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.645   0.921  -1.129  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.440   0.476  -1.908  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.290  -0.648  -2.756  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.928  -1.325  -2.844  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.148   0.507  -0.536  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.554  -0.949   3.462  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.627  -0.971   2.236  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.115   0.107   1.543  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.398   0.894   2.112  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.948   0.376   0.206  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -6.107   1.522  -0.212  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.396  -0.762  -0.664  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.691  -2.107   0.011  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.113  -2.131   1.418  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.776   1.168  -1.803  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.516   0.665  -0.666  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.465  -0.332  -0.521  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        3.742   1.227  -0.372  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.329   0.575   0.692  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        3.704  -0.003   1.232  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.192   2.180  -0.993  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.616   0.787   1.221  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        5.932   0.135   2.420  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        7.195   0.286   3.003  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        8.150   1.088   2.384  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        9.704   1.273   3.097  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        7.851   1.736   1.188  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        6.587   1.583   0.608  0.00  0.00    +0.025 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4