REMARK  Name = LIG001685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.636  -0.405   0.413  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.328   0.227  -0.395  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.670  -0.020  -0.154  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.879   0.525  -0.835  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.967  -0.185  -0.178  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.517  -0.936   0.899  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.172  -1.530   1.732  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.052  -0.875   0.874  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.137  -1.507   1.690  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.221  -1.267   1.448  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.359   0.200  -0.386  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.779   1.315   0.585  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.006   2.176   1.003  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.121   1.385   0.880  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.400   2.141   1.489  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.140   0.639   0.344  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.315   0.915   0.573  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.746  -0.465  -0.610  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.341  -0.969  -0.319  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  22
ATOM     20  O   LIG    1        3.131  -1.404   1.706  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        3.106  -0.618   0.768  0.00  0.00    +0.241 C 
ATOM     22  N   LIG    1        1.990  -0.120   0.125  0.00  0.00    -0.282 N 
ATOM     23  H   LIG    1        2.146   0.526  -0.636  0.00  0.00    +0.155 HD
BRANCH  21  24
ATOM     24  C   LIG    1        4.367  -0.081   0.181  0.00  0.00    +0.068 C 
ATOM     25  C   LIG    1        5.552  -0.433   0.705  0.00  0.00    +0.013 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.841   0.060   0.205  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1        7.122   0.159  -1.164  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        8.371   0.610  -1.600  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        9.352   0.957  -0.673  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.088   0.847   0.690  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.840   0.395   1.127  0.00  0.00    +0.008 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 4