REMARK  Name = LIG001848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.566  -0.717  -0.079  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1        0.302   0.620   0.036  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1       -1.013   0.786   0.064  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1       -1.574  -0.431  -0.016  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.626  -1.408  -0.109  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.014  -0.592   0.031  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1       -3.662   0.093  -1.153  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -3.658  -0.404  -2.279  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -4.267   1.306  -0.929  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -4.704   1.739  -1.732  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -4.463   1.948   0.267  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -5.135   2.974   0.330  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.793   1.347   1.478  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -3.654  -0.164   1.354  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  19
ATOM     15  C   LIG    1        3.124  -0.452  -0.046  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1        4.285  -1.211  -0.075  0.00  0.00    +0.138 A 
ATOM     17  S   LIG    1        3.915  -2.873  -0.321  0.00  0.00    -0.086 S 
ATOM     18  C   LIG    1        2.236  -2.578  -0.328  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        1.932  -1.244  -0.152  0.00  0.00    +0.053 A 
BRANCH  15  21
ATOM     20  C   LIG    1        3.127   1.606  -1.071  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        3.146   0.888   0.161  0.00  0.00    -0.493 OA
ENDBRANCH  15  21
BRANCH  16  22
ATOM     22  C   LIG    1        5.679  -0.850   0.062  0.00  0.00    +0.347 C 
ATOM     23  O   LIG    1        6.654  -1.591   0.080  0.00  0.00    -0.244 OA
BRANCH  22  24
ATOM     24  O   LIG    1        5.874   0.482   0.170  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        6.844   0.558   0.274  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 5