REMARK  Name = LIG000648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.094   2.666   1.046  0.00  0.00    +0.059 A 
ATOM      2  N   LIG    1       -1.523   1.355   0.868  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1       -2.673   1.313   0.227  0.00  0.00    +0.164 A 
ATOM      4  S   LIG    1       -3.299   2.873  -0.191  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1       -1.940   3.622   0.526  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1       -3.379   0.223  -0.124  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1       -4.246   0.337  -0.633  0.00  0.00    +0.155 HD
BRANCH   6   8
ATOM      8  C   LIG    1       -3.104  -1.130   0.022  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1       -4.036  -1.946  -0.522  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1       -3.847  -3.283  -0.436  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -2.758  -3.868   0.178  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.808  -3.030   0.739  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -1.985  -1.648   0.663  0.00  0.00    +0.044 A 
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   1  14
ATOM     14  C   LIG    1        0.196   2.901   1.761  0.00  0.00    +0.152 C 
BRANCH  14  17
ATOM     15  N   LIG    1        1.283   1.141   0.503  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        0.380   0.683   0.594  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        1.404   2.434   0.960  0.00  0.00    +0.224 C 
ATOM     18  O   LIG    1        2.376   3.175   0.832  0.00  0.00    -0.275 OA
BRANCH  15  22
ATOM     19  C   LIG    1        5.449  -0.758  -1.950  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1        4.122  -0.517  -1.329  0.00  0.00    +0.008 A 
ATOM     21  S   LIG    1        3.777   0.958  -0.529  0.00  0.00    -0.057 S 
ATOM     22  C   LIG    1        2.204   0.402  -0.186  0.00  0.00    +0.165 A 
ATOM     23  N   LIG    1        1.919  -0.808  -0.611  0.00  0.00    -0.233 NA
ATOM     24  C   LIG    1        3.013  -1.334  -1.271  0.00  0.00    +0.124 A 
ENDBRANCH  15  22
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 5