REMARK  Name = LIG001945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.154  -0.879  -1.111  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        1.871  -0.460  -0.707  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        1.627   0.748  -0.009  0.00  0.00    +0.048 A 
ATOM      4  N   LIG    1        0.316   1.143   0.390  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.009   2.221   1.271  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.996   3.133   1.698  0.00  0.00    +0.034 A 
ATOM      7  S   LIG    1        2.687   3.078   1.155  0.00  0.00    -0.086 S 
ATOM      8  C   LIG    1        0.681   4.187   2.579  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -0.611   4.358   3.062  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.599   3.474   2.665  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.290   2.426   1.788  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.759   1.526   0.293  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.047   1.118  -0.103  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        4.245  -0.072  -0.796  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        3.583  -3.336  -0.843  0.00  0.00    +0.043 C 
ATOM     16  C   LIG    1        3.368  -2.194  -1.828  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  O   LIG    1        2.242  -2.496  -2.651  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1        2.477  -3.280  -3.175  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   4  19
ATOM     19  C   LIG    1       -0.826   0.451  -0.260  0.00  0.00    +0.112 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.275  -0.774   0.552  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.316  -1.614  -0.198  0.00  0.00    +0.085 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.553  -0.881  -0.517  0.00  0.00    -0.308 NA
ATOM     23  C   LIG    1       -4.373  -0.654   0.675  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -4.334  -1.625  -1.511  0.00  0.00    +0.104 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6