REMARK  Name = LIG001991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.090   0.310   0.279  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.732   0.701   1.562  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.392   0.647   2.581  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.353   1.195   1.486  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.897   1.007   0.184  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.612   1.381  -0.166  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.215   1.958   0.818  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -0.270   2.128   2.137  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.569   1.746   2.481  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.959   0.360  -0.638  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -8.602  -2.832   0.628  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.632  -2.091   0.495  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.354  -2.566   0.652  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.272  -3.540   0.911  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.171  -1.910   0.400  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.104  -2.522   0.433  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.296  -0.444  -0.044  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.577   0.178   0.510  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.772  -0.650   0.065  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.632   2.347   0.474  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.516   1.216   0.585  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1        2.714   0.827   1.501  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.816   0.410  -0.488  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1        2.489   0.612  -1.647  0.00  0.00    -0.269 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.615  -0.838  -0.111  0.00  0.00    +0.145 C 
ATOM     26  N   LIG    1        3.588  -1.206   1.143  0.00  0.00    -0.087 NA
BRANCH  26  27
ATOM     27  O   LIG    1        4.364  -2.348   1.364  0.00  0.00    -0.409 OA
ATOM     28  H   LIG    1        4.212  -2.533   2.311  0.00  0.00    +0.328 HD
ENDBRANCH  26  27
BRANCH  25  29
ATOM     29  C   LIG    1        4.379  -1.506  -1.232  0.00  0.00    +0.099 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.677  -0.793  -1.535  0.00  0.00    -0.041 A 
ATOM     31  C   LIG    1        5.740   0.168  -2.556  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        6.934   0.840  -2.819  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        8.062   0.556  -2.060  0.00  0.00    +0.123 A 
ATOM     34  F   LIG    1        9.208   1.203  -2.312  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        8.019  -0.387  -1.040  0.00  0.00    +0.038 A 
ATOM     36  C   LIG    1        6.826  -1.060  -0.775  0.00  0.00    +0.007 A 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 7