REMARK  Name = LIG001744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367   2.573   0.817  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.348   2.116  -0.045  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1       -2.161   0.866  -0.003  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -3.046   1.018  -1.155  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -2.730   2.138  -1.909  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.201   2.478  -2.977  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.685   2.863  -1.175  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.080   4.066  -1.488  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.093   4.534  -0.619  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.260   3.792   0.524  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.845  -0.073  -1.705  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -2.972  -1.177  -2.334  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -1.761  -1.081  -2.535  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.643  -2.337  -2.660  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.064  -3.065  -3.065  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.794  -2.791  -2.064  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.120  -3.973  -2.133  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.636  -1.761  -1.344  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.766  -0.708  -0.668  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1        0.385   1.178   2.915  0.00  0.00    -0.097 C 
ATOM     21  C   LIG    1        0.022   1.819   1.967  0.00  0.00    -0.066 C 
BRANCH  20  22
ATOM     22  C   LIG    1        0.886   0.394   4.052  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.978  -0.586   3.622  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.254   0.114   3.150  0.00  0.00    +0.230 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.221  -0.852   2.728  0.00  0.00    -0.492 OA
BRANCH  25  29
ATOM     26  C   LIG    1        4.639  -1.980  -1.259  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        3.467  -1.312  -0.883  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        3.283  -0.919   0.449  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        4.271  -1.182   1.402  0.00  0.00    +0.121 A 
ATOM     30  C   LIG    1        5.433  -1.861   1.017  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        5.624  -2.258  -0.310  0.00  0.00    +0.014 A 
BRANCH  26  33
ATOM     32  O   LIG    1        5.829  -2.987  -3.047  0.00  0.00    -0.296 OA
ATOM     33  C   LIG    1        4.826  -2.392  -2.668  0.00  0.00    +0.258 C 
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  21
TORSDOF 8