REMARK  Name = LIG001169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.300  -2.496   0.750  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.754  -1.320   0.267  0.00  0.00    +0.172 A 
ATOM      3  C   LIG    1        0.394  -1.554   0.198  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -0.405  -0.503  -0.276  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1        0.218   0.652  -0.619  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1        1.559   0.787  -0.512  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1        0.075  -2.818   0.638  0.00  0.00    -0.230 NA
ATOM      8  N   LIG    1        2.381  -0.180  -0.071  0.00  0.00    -0.194 NA
ATOM      9  C   LIG    1        1.235  -3.352   0.955  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.227  -2.300   1.146  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        5.845  -2.712   1.175  0.00  0.00    -0.272 N 
ATOM     12  N   LIG    1        5.529  -3.946   1.613  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1        4.199  -3.993   1.501  0.00  0.00    +0.160 A 
ATOM     14  C   LIG    1        3.665  -2.791   0.996  0.00  0.00    +0.087 A 
ATOM     15  C   LIG    1        4.759  -1.979   0.795  0.00  0.00    +0.134 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1        2.130   2.000  -0.916  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1        3.406   2.313  -0.255  0.00  0.00    +0.136 C 
ATOM     18  C   LIG    1        3.996   3.610  -0.831  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1        3.064   4.698  -0.744  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1        1.879   4.385  -1.494  0.00  0.00    +0.179 C 
ATOM     21  C   LIG    1        1.183   3.127  -0.952  0.00  0.00    +0.136 C 
ENDBRANCH   6  16
BRANCH   4  22
ATOM     22  N   LIG    1       -1.793  -0.641  -0.404  0.00  0.00    -0.322 N 
ATOM     23  H   LIG    1       -2.104  -1.434   0.157  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.540   0.577  -0.151  0.00  0.00    +0.156 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.010   0.361  -0.283  0.00  0.00    +0.034 A 
ATOM     26  N   LIG    1       -4.532  -0.321  -1.357  0.00  0.00    -0.357 N 
ATOM     27  H   LIG    1       -3.974  -0.731  -2.094  0.00  0.00    +0.166 HD
ATOM     28  C   LIG    1       -5.902  -0.389  -1.265  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -6.267   0.273  -0.094  0.00  0.00    -0.000 A 
ATOM     30  C   LIG    1       -7.632   0.351   0.243  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -8.581  -0.236  -0.602  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -8.186  -0.893  -1.766  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -6.837  -0.983  -2.121  0.00  0.00    +0.026 A 
ATOM     34  C   LIG    1       -5.069   0.740   0.516  0.00  0.00    +0.032 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 5