REMARK  Name = LIG001315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.747  -4.278   0.467  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1        0.758  -2.920   0.319  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -0.573  -2.564   0.242  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -0.844  -1.198   0.098  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1        0.215  -0.349   0.046  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1        1.489  -0.807   0.127  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1       -1.391  -3.672   0.339  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1        1.818  -2.106   0.270  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1       -0.560  -4.686   0.469  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1        2.526   0.136   0.100  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        2.153   1.405  -0.545  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.281   2.446  -0.417  0.00  0.00    +0.126 C 
ATOM     13  N   LIG    1        4.592   1.921  -0.816  0.00  0.00    -0.299 N 
ATOM     14  C   LIG    1        5.636   2.721  -1.260  0.00  0.00    +0.213 C 
ATOM     15  O   LIG    1        6.800   2.325  -1.316  0.00  0.00    -0.276 OA
ATOM     16  C   LIG    1        5.290   4.120  -1.706  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        4.937   0.628  -0.217  0.00  0.00    +0.126 C 
ATOM     18  C   LIG    1        3.816  -0.415  -0.348  0.00  0.00    +0.127 C 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     19  C   LIG    1        2.401  -5.239   2.018  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1        1.908  -5.133   0.586  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   4  21
ATOM     21  N   LIG    1       -2.161  -0.719  -0.007  0.00  0.00    -0.320 N 
ATOM     22  H   LIG    1       -2.784  -1.454   0.334  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.366   0.556   0.676  0.00  0.00    +0.177 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.748   1.099   0.479  0.00  0.00    +0.125 A 
ATOM     25  N   LIG    1       -4.383   1.001  -0.736  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1       -3.989   0.549  -1.551  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1       -5.620   1.579  -0.623  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -5.675   2.014   0.696  0.00  0.00    +0.091 A 
ATOM     29  C   LIG    1       -6.827   2.663   1.159  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1       -7.894   2.853   0.270  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1       -7.814   2.403  -1.057  0.00  0.00    +0.061 A 
ATOM     32 CL   LIG    1       -9.112   2.620  -2.181  0.00  0.00    -0.082 Cl
ATOM     33 CL   LIG    1       -9.298   3.661   0.883  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1       -6.666   1.751  -1.532  0.00  0.00    +0.049 A 
ATOM     35  N   LIG    1       -4.514   1.711   1.361  0.00  0.00    -0.231 NA
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5