REMARK  Name = LIG001170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.774   0.458   0.975  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.079  -0.107  -0.057  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.502  -0.744  -1.002  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.334   0.172   0.182  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.421   0.899   1.352  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -1.632   1.329   1.851  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -2.778   0.990   1.120  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.707   0.233  -0.077  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -1.451  -0.173  -0.555  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.937   1.089   1.855  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        1.213   1.723   2.856  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        5.576  -1.461  -1.733  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.911  -0.863  -0.891  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.615  -1.450   0.312  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        4.891  -2.420   0.382  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.677  -1.040   1.226  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.207  -1.837   2.037  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.220   0.415   1.140  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.012   1.249   0.136  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        4.338   0.509  -1.149  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -3.880  -0.079  -0.795  0.00  0.00    -0.330 N 
ATOM     22  C   LIG    1       -4.074  -1.169  -1.711  0.00  0.00    +0.106 C 
ATOM     23  C   LIG    1       -5.576  -0.895  -1.587  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1       -5.214  -0.193  -0.274  0.00  0.00    +0.106 C 
ENDBRANCH   8  21
TORSDOF 2