REMARK  Name = LIG001000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.388  -0.097  -0.855  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.032   0.030  -2.186  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.696  -0.234  -3.169  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.669   0.572  -2.207  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.236   0.712  -0.892  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.969   1.198  -0.623  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.138   1.553  -1.703  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.602   1.402  -3.030  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.883   0.908  -3.291  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.301   0.261   0.050  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.259  -2.271   2.361  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.534  -1.829   1.475  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.490  -2.567   0.975  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.332  -3.450   1.445  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.413  -2.083   0.265  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        4.373  -2.735   0.203  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.631  -0.723  -0.418  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.430   0.191   0.507  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.754  -0.470   0.857  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.265   2.046  -1.437  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.166   0.935  -1.227  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -2.337   0.330  -2.017  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.454   0.465   0.039  0.00  0.00    +0.217 C 
ATOM     24  O   LIG    1       -2.021   0.996   1.056  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.303  -0.809   0.046  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -4.668  -0.614  -0.628  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1       -5.736  -0.034   0.266  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1       -5.619  -0.056   1.666  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -6.669   0.441   2.453  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.826   0.945   1.862  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.943   0.967   0.476  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.368  -0.544   2.348  0.00  0.00    +0.036 C 
ATOM     33  C   LIG    1       -6.906   0.476  -0.317  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -3.475  -1.399   1.450  0.00  0.00    +0.018 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4