REMARK  Name = LIG000878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.371  -0.341  -2.336  0.00  0.00    +0.059 A 
ATOM      2  N   LIG    1       -0.015   0.465  -1.275  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1       -1.233   0.176  -0.857  0.00  0.00    +0.164 A 
ATOM      4  S   LIG    1       -1.957  -1.125  -1.730  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1       -0.572  -1.270  -2.717  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1       -1.762   0.848   0.184  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1       -1.106   1.407   0.719  0.00  0.00    +0.155 HD
BRANCH   6   8
ATOM      8  C   LIG    1       -2.972   0.819   0.863  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1       -2.938   1.447   2.062  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1       -4.061   1.481   2.813  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -5.260   0.919   2.425  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.302   0.293   1.190  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.150   0.246   0.401  0.00  0.00    +0.044 A 
ENDBRANCH   6   8
ENDBRANCH   3   6
BRANCH   1  14
ATOM     14  C   LIG    1        1.724  -0.138  -2.929  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     15  N   LIG    1        2.991  -0.238  -0.855  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        2.262   0.377  -0.490  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        2.789  -0.812  -2.088  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        3.438  -1.775  -2.491  0.00  0.00    -0.275 OA
BRANCH  15  19
ATOM     19  C   LIG    1        3.880  -0.845   0.111  0.00  0.00    +0.199 C 
BRANCH  19  23
ATOM     20  N   LIG    1        4.941  -0.345   2.256  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1        5.055   0.244   3.071  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        5.707  -0.952   1.996  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1        3.958   0.006   1.375  0.00  0.00    +0.228 C 
ATOM     24  O   LIG    1        3.183   0.924   1.633  0.00  0.00    -0.274 OA
ENDBRANCH  19  23
ENDBRANCH  15  19
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 6