REMARK  Name = LIG000530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.062  -0.259  -2.007  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1        3.095  -0.709  -1.119  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1        3.311  -2.021  -1.453  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        2.468  -2.291  -2.483  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        2.368  -3.164  -2.991  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        1.696  -1.251  -2.842  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.037   2.000  -1.335  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.514   1.111  -2.018  0.00  0.00    +0.266 C 
ATOM      9  N   LIG    1        0.421   1.465  -2.772  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        0.148   2.420  -2.593  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -0.590   0.621  -3.374  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.679   0.293  -2.384  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -2.707   1.210  -2.126  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -3.701   0.918  -1.188  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.688  -0.293  -0.483  0.00  0.00    -0.022 A 
ATOM     16  C   LIG    1       -2.659  -1.206  -0.739  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -1.663  -0.914  -1.677  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -4.742  -0.595   0.500  0.00  0.00    -0.040 C 
ATOM     19  C   LIG    1       -5.506  -1.889   0.376  0.00  0.00    +0.063 C 
ATOM     20  C   LIG    1       -6.243  -2.217   1.676  0.00  0.00    +0.165 C 
ATOM     21  O   LIG    1       -6.963  -1.073   2.136  0.00  0.00    -0.375 OA
ATOM     22  C   LIG    1       -6.082  -0.017   2.531  0.00  0.00    +0.187 C 
ATOM     23  C   LIG    1       -5.010   0.247   1.515  0.00  0.00    +0.005 C 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   2  24
ATOM     24  N   LIG    1        3.726   0.044  -0.143  0.00  0.00    -0.278 N 
ATOM     25  H   LIG    1        3.420   1.016  -0.088  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        4.707  -0.416   0.708  0.00  0.00    +0.251 C 
ATOM     27  O   LIG    1        5.185  -1.540   0.773  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        5.209   0.608   1.637  0.00  0.00    +0.074 A 
ATOM     29  C   LIG    1        6.353   1.346   1.311  0.00  0.00    +0.054 A 
ATOM     30 CL   LIG    1        7.195   1.137  -0.183  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        6.839   2.307   2.203  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        6.188   2.530   3.417  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        5.049   1.793   3.742  0.00  0.00    +0.021 A 
ATOM     34  C   LIG    1        4.558   0.831   2.855  0.00  0.00    +0.054 A 
ATOM     35 CL   LIG    1        3.137  -0.037   3.316  0.00  0.00    -0.083 Cl
ENDBRANCH  26  28
ENDBRANCH   2  24
TORSDOF 6