REMARK  Name = LIG001300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.343   1.063  -0.683  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        1.604   0.724  -1.209  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        2.653   0.516  -0.329  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        4.078   0.170  -0.610  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.639   0.020   0.726  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.733   0.375   1.716  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        3.928   0.451   2.913  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.458   0.647   1.044  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.239   0.985   1.597  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.174   1.193   0.718  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        6.069  -0.086   0.993  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.827   1.207   0.650  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.292   2.279   0.377  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        8.200   1.098   0.649  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.688   1.949   0.403  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.905  -0.052   0.401  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       10.068  -0.011   0.012  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        8.179  -1.355   0.646  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.715  -1.250   0.247  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.837   1.297  -1.604  0.00  0.00    +0.144 C 
BRANCH  20  24
ATOM     21  N   LIG    1       -4.042  -0.390  -0.740  0.00  0.00    -0.255 N 
ATOM     22  C   LIG    1       -3.063   0.616  -0.819  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1       -3.216   1.756  -0.378  0.00  0.00    -0.252 OA
ATOM     24  N   LIG    1       -1.867   0.272  -1.446  0.00  0.00    -0.281 N 
ATOM     25  C   LIG    1       -1.636  -0.998  -2.110  0.00  0.00    +0.111 C 
ATOM     26  C   LIG    1       -2.435  -2.102  -1.472  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -3.876  -1.652  -1.458  0.00  0.00    +0.117 C 
BRANCH  21  33
ATOM     28  C   LIG    1       -9.143   0.469   1.875  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1       -7.811   0.265   1.212  0.00  0.00    -0.032 A 
ATOM     30  C   LIG    1       -6.657   0.937   1.634  0.00  0.00    +0.046 A 
ATOM     31 CL   LIG    1       -6.698   2.036   2.969  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -5.428   0.728   0.993  0.00  0.00    +0.043 A 
ATOM     33  C   LIG    1       -5.309  -0.155  -0.088  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -6.469  -0.831  -0.498  0.00  0.00    +0.024 A 
ATOM     35  C   LIG    1       -7.700  -0.623   0.137  0.00  0.00    +0.006 A 
ENDBRANCH  21  33
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4