REMARK  Name = LIG001944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.844  -1.730  -0.273  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        1.658  -0.974  -0.354  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        1.641   0.440  -0.419  0.00  0.00    +0.048 A 
ATOM      4  N   LIG    1        0.425   1.183  -0.486  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.310   2.595  -0.322  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        1.445   3.431  -0.280  0.00  0.00    +0.034 A 
ATOM      7  S   LIG    1        3.108   2.839  -0.477  0.00  0.00    -0.086 S 
ATOM      8  C   LIG    1        1.317   4.824  -0.106  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        0.069   5.418   0.038  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.062   4.621   0.010  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.940   3.237  -0.165  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.896   1.078  -0.385  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.087   0.332  -0.305  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        4.063  -1.057  -0.249  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        3.209  -3.778   1.159  0.00  0.00    +0.043 C 
ATOM     16  C   LIG    1        2.784  -3.240  -0.201  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  O   LIG    1        3.622  -3.812  -1.204  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1        3.613  -3.207  -1.967  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   4  19
ATOM     19  C   LIG    1       -0.797   0.450  -0.889  0.00  0.00    +0.112 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.572  -0.086   0.325  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.857  -0.789  -0.130  0.00  0.00    +0.085 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.557  -1.480   0.964  0.00  0.00    -0.308 NA
ATOM     23  C   LIG    1       -4.643  -2.304   0.425  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -4.096  -0.548   1.958  0.00  0.00    +0.104 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6