REMARK  Name = LIG000127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.523   1.791   0.253  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -2.888   0.715  -0.417  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -1.538   0.900  -0.206  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.610   0.012  -0.720  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.106  -1.013  -1.445  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -2.440  -1.131  -1.615  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -1.440   2.053   0.513  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.594   2.523   0.814  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.385  -0.316  -1.128  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -2.625   2.605   0.834  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.375   3.399  -0.282  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -4.997   2.058   0.350  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -5.492   1.984   1.796  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.756   0.164  -0.516  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        0.993   0.545   0.391  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.576  -0.978  -0.895  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.011  -0.692  -0.513  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        3.602  -1.327   0.587  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        4.926  -1.049   0.949  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.675  -0.120   0.214  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        5.084   0.523  -0.883  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        3.763   0.240  -1.241  0.00  0.00    +0.007 A 
BRANCH  20  23
ATOM     23  N   LIG    1        7.022   0.184   0.560  0.00  0.00    -0.240 N 
ATOM     24  N   LIG    1        7.739   1.095  -0.152  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1        8.933   1.127   0.439  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        9.016   0.253   1.530  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        7.778  -0.341   1.589  0.00  0.00    +0.114 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  28
ATOM     28  S   LIG    1       -2.964  -2.527  -2.589  0.00  0.00    -0.084 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.588  -2.864  -1.841  0.00  0.00    +0.105 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.475  -3.420  -0.424  0.00  0.00    +0.167 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -5.763  -3.793   0.063  0.00  0.00    -0.394 OA
ATOM     32  H   LIG    1       -6.073  -4.546  -0.470  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 9