REMARK  Name = LIG000141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.297   0.416   0.401  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.089   0.740  -0.932  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.887   1.176  -1.738  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.684   0.439  -1.226  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.117  -0.136  -0.094  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.788  -0.533  -0.098  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.010  -0.319  -1.248  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.634   0.233  -2.395  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        1.975   0.628  -2.392  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.142  -0.256   0.982  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.728   0.126   1.289  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.513   0.238   1.148  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.761  -0.799   0.656  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.271  -1.631   0.395  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.389  -0.890   0.590  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.853  -1.957   0.291  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.609   0.355   1.037  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.449   1.617   0.837  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.762   1.472   1.589  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1       -1.316  -0.751  -1.371  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -1.823  -0.205  -2.065  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.118  -0.978  -0.173  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.525  -1.339  -0.567  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.651  -0.614  -0.159  0.00  0.00    +0.141 A 
ATOM     25  O   LIG    1       -4.626   0.500   0.627  0.00  0.00    -0.454 OA
ATOM     26  C   LIG    1       -5.914   0.906   0.792  0.00  0.00    +0.136 A 
ATOM     27  C   LIG    1       -6.783   0.057   0.117  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -8.164   0.326   0.178  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -8.604   1.435   0.915  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.697   2.264   1.579  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.321   2.014   1.531  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1       -5.962  -0.932  -0.501  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -6.192  -2.060  -1.311  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1       -5.096  -2.817  -1.739  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -3.795  -2.465  -1.373  0.00  0.00    +0.009 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 4