REMARK  Name = LIG000742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.515   0.318   0.038  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        2.163   0.535  -0.308  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.475   1.348  -1.236  0.00  0.00    +0.144 A 
ATOM      4  N   LIG    1        0.152   1.180  -1.203  0.00  0.00    -0.178 NA
ATOM      5  N   LIG    1       -0.026   0.266  -0.224  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1        1.150  -0.162   0.353  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        1.419  -1.070   1.386  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        2.756  -1.261   1.743  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.780  -0.578   1.087  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.372  -0.205   0.080  0.00  0.00    +0.194 C 
ATOM     11  C   LIG    1       -2.054   0.724   1.071  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -1.487   1.226   2.040  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -3.412   0.900   0.915  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.855   1.490   1.607  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.266   0.130   0.167  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -5.481   0.186   0.330  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.625  -0.853  -0.782  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1       -2.231  -0.395  -1.177  0.00  0.00    +0.045 C 
ENDBRANCH   5  10
BRANCH   1  19
ATOM     19  N   LIG    1        4.587   0.999  -0.562  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1        4.316   1.587  -1.342  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1        5.364   0.387  -0.793  0.00  0.00    +0.142 HD
ENDBRANCH   1  19
TORSDOF 2