REMARK  Name = LIG001141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.577   1.001   1.038  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        1.165  -0.286   0.297  0.00  0.00    +0.239 C 
ATOM      3  O   LIG    1        1.459  -0.485  -0.882  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.345  -1.146   0.999  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        0.221  -1.121   2.439  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1       -0.779  -2.227   2.732  0.00  0.00    +0.060 C 
ATOM      7  C   LIG    1       -0.425  -3.317   1.701  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.623  -4.253   1.499  0.00  0.00    +0.013 C 
ATOM      9  C   LIG    1        0.764  -4.166   2.197  0.00  0.00    +0.013 C 
ATOM     10  O   LIG    1       -0.206   0.114   2.999  0.00  0.00    -0.359 OA
ATOM     11  C   LIG    1       -0.749   1.088   2.125  0.00  0.00    +0.164 C 
ATOM     12  C   LIG    1        0.013  -2.486   0.454  0.00  0.00    +0.170 C 
ATOM     13  C   LIG    1        0.339   1.839   1.357  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.864   1.534   0.300  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        2.502   1.747   0.184  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        2.172   1.922  -0.758  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        4.366   0.904   1.229  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        4.697   2.151  -0.846  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        4.690   1.192  -2.034  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        6.208   3.524   0.473  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        6.095   2.376  -0.420  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        6.391   1.541   0.095  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH  12  23
ATOM     23  C   LIG    1       -1.050  -2.435  -0.670  0.00  0.00    +0.235 C 
ATOM     24  N   LIG    1       -1.789  -1.279  -0.708  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1       -1.377  -0.481  -0.251  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -1.282  -3.397  -1.398  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -2.787  -1.007  -1.728  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -3.669   0.121  -1.225  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -3.540   1.437  -1.712  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -4.352   2.450  -1.182  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.266   2.173  -0.165  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.386   0.877   0.327  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.599   1.775  -2.842  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -1.520   0.720  -3.070  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -4.593  -0.142  -0.198  0.00  0.00    +0.006 A 
ATOM     36  C   LIG    1       -2.133  -0.678  -3.079  0.00  0.00    +0.027 C 
ENDBRANCH  24  27
ENDBRANCH  12  23
TORSDOF 5