REMARK  Name = LIG001901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.722   0.712  -0.465  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.512   0.446  -1.808  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.271   0.621  -2.741  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.168  -0.131  -1.923  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.647  -0.298  -0.637  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.380  -0.841  -0.440  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        0.342  -1.160  -1.603  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -0.197  -0.988  -2.896  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.477  -0.471  -3.067  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.646   0.188   0.362  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.114   1.482   0.373  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -7.901   1.377   0.210  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.293   0.147   0.206  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.906  -0.649   0.313  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.944  -0.126   0.217  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.545  -1.274   0.415  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.009   1.088   0.112  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.702   2.240  -0.616  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -6.997   2.583   0.104  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  N   LIG    1        0.133  -0.979   0.862  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1       -0.580  -1.146   1.560  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.447  -1.149   1.271  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1        1.638  -1.614   2.682  0.00  0.00    +0.058 C 
ATOM     24  C   LIG    1        2.891  -1.791   3.094  0.00  0.00    +0.074 C 
ATOM     25  N   LIG    1        3.969  -1.621   2.274  0.00  0.00    -0.314 N 
ATOM     26  H   LIG    1        4.750  -1.149   2.721  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        3.802  -1.071   0.957  0.00  0.00    +0.282 C 
ATOM     28  N   LIG    1        2.441  -0.873   0.489  0.00  0.00    -0.229 NA
BRANCH  27  29
ATOM     29  N   LIG    1        4.503   0.187   0.987  0.00  0.00    -0.306 N 
ATOM     30  H   LIG    1        3.864   0.879   0.600  0.00  0.00    +0.150 HD
BRANCH  29  31
ATOM     31  C   LIG    1        5.752   0.287   0.349  0.00  0.00    +0.065 A 
ATOM     32  C   LIG    1        6.104   1.484  -0.299  0.00  0.00    +0.144 A 
ATOM     33  F   LIG    1        5.203   2.477  -0.378  0.00  0.00    -0.204 F 
ATOM     34  C   LIG    1        7.354   1.670  -0.884  0.00  0.00    +0.040 A 
ATOM     35  C   LIG    1        8.305   0.656  -0.808  0.00  0.00    +0.003 A 
ATOM     36  C   LIG    1        7.998  -0.527  -0.137  0.00  0.00    +0.002 A 
ATOM     37  C   LIG    1        6.738  -0.704   0.448  0.00  0.00    +0.026 A 
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5