REMARK  Name = LIG001622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.538  -0.048  -0.714  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.037   1.130  -0.176  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.647   2.124   0.163  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.584   0.960  -0.063  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        0.268  -0.339  -0.449  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.047  -0.774  -0.431  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -2.053   0.122  -0.019  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1       -1.698   1.438   0.369  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.369   1.867   0.352  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.511  -1.077  -0.814  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.984  -0.160   0.111  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.784  -0.145  -0.144  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.859  -0.557   0.783  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.228  -0.837   1.681  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.510  -0.755   0.600  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.840  -1.304   1.474  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        3.956  -0.382  -0.784  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        4.814   0.706  -1.431  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.256   0.230  -1.509  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -3.501  -0.342   0.007  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -4.386   0.464  -0.956  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -5.838  -0.005  -0.879  0.00  0.00    +0.081 C 
ATOM     23  N   LIG    1       -6.350   0.069   0.489  0.00  0.00    -0.316 NA
ATOM     24  H   LIG    1       -7.320  -0.247   0.505  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -5.559  -0.750   1.407  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1       -4.095  -0.312   1.424  0.00  0.00    +0.023 C 
ENDBRANCH   7  20
TORSDOF 2