REMARK  Name = LIG001627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.708   0.286  -0.940  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.421   0.293  -0.480  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.003   0.512   0.643  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.558  -0.031  -1.616  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.383  -0.247  -2.707  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.884  -0.571  -3.951  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.503  -0.659  -4.070  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.342  -0.441  -2.953  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.824  -0.137  -1.684  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -2.763  -0.071  -2.260  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -3.738  -0.218  -2.971  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.067   0.326   3.402  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.420   0.370   2.360  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.919  -0.774   1.788  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.063  -1.627   2.312  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.098  -0.876   0.688  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.619  -1.962   0.366  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.896   0.416  -0.111  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.877   1.616   0.831  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.184   1.661   1.610  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        1.624   0.075  -0.550  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        1.086   0.403   0.259  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.872  -0.454  -0.169  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        3.608   0.224   0.814  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        4.863  -0.239   1.216  0.00  0.00    +0.161 A 
ATOM     26  C   LIG    1        5.427  -1.360   0.615  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.709  -2.042  -0.363  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.442  -1.592  -0.750  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  O   LIG    1        5.527   0.489   2.165  0.00  0.00    -0.322 OA
BRANCH  29  30
ATOM     30  S   LIG    1        6.002  -0.251   3.541  0.00  0.00    +0.292 S 
ATOM     31  F   LIG    1        4.910  -1.370   3.848  0.00  0.00    -0.027 F 
ATOM     32  O   LIG    1        7.235  -0.972   3.294  0.00  0.00    -0.103 OA
ATOM     33  O   LIG    1        5.887   0.696   4.632  0.00  0.00    -0.103 OA
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 5