REMARK  Name = LIG001869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.652  -1.037   0.290  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.163  -2.228  -0.228  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.599  -3.351  -0.065  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.983  -1.888  -1.031  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.843  -0.503  -1.030  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.800   0.093  -1.717  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.105  -0.729  -2.416  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.057  -2.135  -2.395  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.115  -2.727  -1.701  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.940   0.123  -0.235  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.434   0.904   2.136  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.428   0.279   1.815  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.263  -0.189   0.536  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.983   0.098  -0.115  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.066  -0.539  -0.047  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.938  -0.501  -1.268  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.957  -0.955   0.934  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        4.961   0.003   2.123  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.324  -0.036   2.797  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.268  -0.108  -3.150  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.387   0.093  -2.259  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.865  -0.731  -1.923  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.587   1.287  -1.614  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -1.893   2.284  -1.775  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.682   1.282  -0.609  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -3.459   2.163   0.585  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1       -4.331   1.934   1.707  0.00  0.00    -0.487 OA
ATOM     28  C   LIG    1       -5.545   1.362   1.442  0.00  0.00    +0.131 A 
ATOM     29  C   LIG    1       -5.835   0.696   0.247  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -7.097   0.117   0.092  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -8.057   0.194   1.099  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -7.756   0.854   2.289  0.00  0.00    +0.006 A 
ATOM     33  F   LIG    1       -7.405  -0.536  -1.040  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -6.498   1.432   2.461  0.00  0.00    +0.046 A 
ATOM     35  C   LIG    1       -4.816   0.594  -0.790  0.00  0.00    +0.026 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4