REMARK  Name = LIG000428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.516  -0.481   0.218  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -2.935  -1.520   0.906  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -1.543  -1.637   1.347  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -1.638  -2.705   2.436  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -2.768  -3.638   1.977  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -3.585  -2.823   0.964  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -4.559  -0.646  -0.427  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.634  -2.147   0.200  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.284  -1.228  -0.266  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        0.016  -0.245  -0.257  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.747  -3.277  -0.277  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        1.170  -1.577  -1.356  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.464  -0.815  -1.250  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        3.547  -1.361  -0.549  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.743  -0.648  -0.426  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.880   0.624  -0.993  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        3.793   1.174  -1.685  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.596   0.463  -1.810  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.141   1.356  -0.863  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        7.434   0.993  -1.220  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        7.860  -0.271  -1.881  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1        8.413   1.931  -0.921  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1        7.862   2.976  -0.349  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1        6.167   2.915  -0.134  0.00  0.00    -0.075 S 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -3.541  -4.029   3.111  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -4.067  -3.262   3.401  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -2.881   0.930   0.311  0.00  0.00    +0.164 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -2.161   1.764  -3.316  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -1.872   1.422  -1.878  0.00  0.00    +0.211 C 
ATOM     30  N   LIG    1       -2.963   1.475  -1.047  0.00  0.00    -0.304 N 
ATOM     31  H   LIG    1       -3.879   1.392  -1.481  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -0.742   1.139  -1.482  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -3.571   1.849   1.370  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -5.069   2.071   1.086  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -2.872   3.228   1.374  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -3.429   1.242   2.781  0.00  0.00    +0.013 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 8