REMARK  Name = LIG000528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.503  -0.415   0.278  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -3.686   0.421  -0.525  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -2.388   0.053  -0.233  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.315   0.679  -0.842  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.618   1.637  -1.745  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -2.913   1.940  -1.982  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -2.497  -0.965   0.667  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -1.747  -1.509   1.078  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.992   1.390  -1.410  0.00  0.00    -0.219 NA
ATOM     10  N   LIG    1       -3.763  -1.261   1.017  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -6.504  -0.069   1.752  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -6.002  -0.422   0.350  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -6.586  -1.759  -0.110  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   6  14
ATOM     14  S   LIG    1       -3.197   3.215  -3.178  0.00  0.00    -0.103 S 
ATOM     15  H   LIG    1       -1.894   3.379  -3.436  0.00  0.00    +0.110 HD
ENDBRANCH   6  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.003   0.336  -0.562  0.00  0.00    -0.323 N 
ATOM     17  H   LIG    1        0.151   0.050   0.398  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.008   1.274  -1.039  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.369   0.792  -0.589  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.987  -0.287  -1.237  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        4.236  -0.757  -0.816  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        4.882  -0.153   0.270  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1        4.263   0.921   0.926  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        3.015   1.387   0.501  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        6.153  -0.609   0.722  0.00  0.00    -0.240 N 
ATOM     26  N   LIG    1        6.768  -0.024   1.785  0.00  0.00    -0.175 NA
ATOM     27  C   LIG    1        7.914  -0.690   1.926  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1        8.064  -1.706   0.974  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        6.922  -1.636   0.212  0.00  0.00    +0.114 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6