REMARK  Name = LIG001917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.055  -0.733   0.026  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        0.980   0.210   0.031  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        2.277  -0.255  -0.094  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.530   0.507  -0.117  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.552  -0.406  -0.335  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.069  -1.780  -0.292  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.610   1.709   0.043  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.591  -1.606  -0.206  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.586  -2.554  -0.194  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.261  -2.109  -0.074  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.972  -0.097  -0.199  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.373   0.034   1.278  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.835  -0.598   2.187  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.473   0.820   1.537  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.757   0.877   2.505  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.298   1.439   0.631  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.335   1.987   0.993  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.913   1.326  -0.826  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.413   1.136  -0.987  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1       -1.993   0.783  -0.314  0.00  0.00    +0.068 C 
ATOM     21  C   LIG    1       -1.467  -0.349   0.180  0.00  0.00    +0.013 C 
BRANCH  20  24
ATOM     22  N   LIG    1       -4.304   0.132  -0.281  0.00  0.00    -0.282 N 
ATOM     23  H   LIG    1       -3.917  -0.753  -0.579  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -3.416   1.173  -0.119  0.00  0.00    +0.241 C 
ATOM     25  O   LIG    1       -3.674   2.349   0.098  0.00  0.00    -0.270 OA
BRANCH  22  31
ATOM     26  C   LIG    1      -10.024   0.096   0.222  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -8.528   0.101   0.088  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1       -7.811  -1.034  -0.309  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1       -8.609  -2.524  -0.673  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -6.416  -0.997  -0.425  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -5.708   0.176  -0.146  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1       -6.417   1.308   0.253  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -7.812   1.272   0.368  0.00  0.00    +0.006 A 
ENDBRANCH  22  31
ENDBRANCH  20  24
ENDBRANCH   1  21
TORSDOF 4