REMARK  Name = LIG000219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.569   0.349  -0.550  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.915   1.393   0.222  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.853   2.096   0.639  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -0.525   1.845   0.356  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.296   2.765   0.976  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -0.528   3.574   1.608  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.255   0.737  -0.463  0.00  0.00    +0.152 A 
ATOM      8  N   LIG    1       -1.840   3.212   1.433  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -1.314   0.001  -0.893  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.008   3.882   1.986  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.131   5.316   1.470  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.010   3.839   3.514  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -3.643  -0.400  -0.999  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -4.440  -0.110  -0.444  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -3.508  -1.847  -1.175  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.133  -2.405   1.242  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -3.119  -2.587   0.119  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.577  -2.221  -2.348  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.939  -3.495  -2.892  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -3.743  -3.354  -3.422  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.058   0.405  -0.823  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        1.705   0.877  -0.195  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.295  -1.005  -1.080  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.770  -1.256  -1.395  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.663  -1.143  -0.156  0.00  0.00    +0.037 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.100  -1.474  -0.475  0.00  0.00    -0.045 A 
ATOM     27  C   LIG    1        5.964  -0.484  -0.962  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        7.283  -0.804  -1.267  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        8.103   0.150  -1.729  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.765  -2.097  -1.103  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        6.912  -3.090  -0.626  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        5.585  -2.781  -0.316  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 11