REMARK  Name = LIG000581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.583  -0.220   0.594  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        0.671  -0.665   1.050  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.809  -0.216   0.401  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        3.245  -0.526   0.672  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        3.933   0.232  -0.366  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.057   0.965  -1.152  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        3.330   1.753  -2.037  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.703   0.654  -0.682  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        0.490   1.115  -1.155  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.663   0.668  -0.506  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.377   0.444  -0.404  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.229  -0.764   0.020  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.823  -1.924   0.055  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.539  -0.490   0.342  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.091  -1.287   0.627  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.076   0.734   0.650  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.184   0.826   1.171  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.250   1.942   0.285  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        5.766   1.659   0.442  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.850  -0.705   1.263  0.00  0.00    +0.044 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.230  -2.133   0.876  0.00  0.00    +0.101 C 
BRANCH  21  24
ATOM     22  N   LIG    1       -3.610  -1.682  -1.198  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1       -3.541  -1.826  -2.202  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -2.561  -2.297  -0.589  0.00  0.00    +0.218 C 
ATOM     25  O   LIG    1       -1.834  -3.000  -1.301  0.00  0.00    -0.275 OA
BRANCH  22  31
ATOM     26  C   LIG    1       -8.326   1.258   0.243  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -7.091   0.489  -0.130  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1       -6.641   0.400  -1.451  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1       -7.481   1.175  -2.746  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -5.486  -0.329  -1.763  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1       -4.745  -0.977  -0.765  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1       -5.205  -0.905   0.546  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1       -6.360  -0.176   0.862  0.00  0.00    +0.006 A 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5