REMARK  Name = LIG001401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.761  -0.321  -0.238  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.579  -1.039   0.935  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.306  -1.097   1.908  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.292  -1.731   0.814  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.703  -1.342  -0.386  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.465  -1.842  -0.749  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.177  -2.750   0.116  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.441  -3.123   1.333  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.690  -2.612   1.692  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.579  -0.362  -1.089  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.730   3.402   0.625  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.881   2.553   0.365  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.562   2.754   0.683  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.348   3.615   1.166  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.481   1.971   0.345  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.337   2.360   0.575  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.800   0.684  -0.433  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.207   0.189  -0.098  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.213   1.290  -0.394  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.543  -3.284  -0.241  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.570  -2.321   0.097  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.699  -2.140   1.080  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -3.090  -1.472  -0.848  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.786  -1.530  -2.035  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -4.051  -0.450  -0.341  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -4.685  -0.590   1.009  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1       -5.822   0.245   1.284  0.00  0.00    -0.487 OA
ATOM     28  C   LIG    1       -5.978   1.366   0.518  0.00  0.00    +0.131 A 
ATOM     29  C   LIG    1       -5.281   1.581  -0.679  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.521   2.743  -1.419  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -6.448   3.673  -0.957  0.00  0.00    +0.159 A 
ATOM     32  C   LIG    1       -7.140   3.450   0.228  0.00  0.00    +0.162 A 
ATOM     33  F   LIG    1       -8.036   4.347   0.664  0.00  0.00    -0.202 F 
ATOM     34  F   LIG    1       -6.672   4.785  -1.669  0.00  0.00    -0.202 F 
ATOM     35  C   LIG    1       -6.914   2.297   0.969  0.00  0.00    +0.087 A 
ATOM     36  C   LIG    1       -4.339   0.578  -1.153  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4