REMARK  Name = LIG001849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.802   0.057  -0.260  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.318  -1.223  -0.032  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.895  -2.284  -0.160  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.933  -1.077   0.428  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.655   0.283   0.543  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.407   0.709   0.966  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.565  -0.261   1.276  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.256  -1.637   1.149  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -1.006  -2.057   0.723  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.865   1.079   0.184  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.300  -0.200  -0.548  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -8.076  -0.106  -0.549  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.374  -0.000   0.625  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.922  -0.037   1.473  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.033   0.263   0.788  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.578   0.499   1.907  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.207   0.372  -0.503  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -5.841  -0.458  -1.619  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.277  -0.006  -1.828  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1        1.942   0.157   1.725  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.910  -0.066   0.674  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.599   0.159  -0.259  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        4.240   0.198   0.928  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        5.002  -0.024  -0.199  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        4.538  -0.548  -0.927  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.641   0.559   2.025  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        6.383   0.208  -0.360  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        6.976  -0.253  -1.542  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        8.338  -0.050  -1.772  0.00  0.00    +0.044 A 
ATOM     30 CL   LIG    1        9.048  -0.628  -3.230  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        9.125   0.615  -0.839  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        8.534   1.079   0.332  0.00  0.00    +0.044 A 
ATOM     33 CL   LIG    1        9.497   1.913   1.491  0.00  0.00    -0.083 Cl
ATOM     34  C   LIG    1        7.172   0.882   0.575  0.00  0.00    +0.043 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4