REMARK  Name = LIG001243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.143   2.257   0.554  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        1.185   2.009   0.214  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.787   0.812  -0.396  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        3.143   1.046  -0.505  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        3.517   2.369  -0.038  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.180  -0.180  -0.742  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        2.217   2.923   0.442  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        1.954   4.141   1.041  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.638   4.414   1.421  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.395   3.484   1.190  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.121   0.115  -1.056  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        3.768  -0.234  -2.503  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.799   0.600  -3.408  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        3.341  -1.517  -2.745  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.050  -1.708  -3.694  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.051  -2.502  -1.836  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        2.543  -3.562  -2.201  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.364  -2.226  -0.385  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        4.391  -1.122  -0.204  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.200   1.214   0.299  0.00  0.00    +0.140 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -3.714   0.999   0.381  0.00  0.00    +0.223 C 
ATOM     22  N   LIG    1       -2.557   1.729   0.361  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.711   2.600  -0.132  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -4.728   1.571  -0.033  0.00  0.00    -0.275 OA
BRANCH  21  26
ATOM     25  C   LIG    1       -3.436  -0.342   2.467  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1       -3.762  -0.444   0.960  0.00  0.00    +0.066 C 
ATOM     27  C   LIG    1       -5.217  -0.969   0.863  0.00  0.00    +0.025 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -2.880  -1.419   0.163  0.00  0.00    -0.033 A 
ATOM     29  C   LIG    1       -2.962  -1.447  -1.244  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -2.147  -2.293  -2.000  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.242  -3.138  -1.366  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.165  -3.149   0.023  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.980  -2.304   0.782  0.00  0.00    +0.004 A 
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5