REMARK  Name = LIG001857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.626   0.193  -0.620  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.352  -1.110  -1.009  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.928  -1.790  -1.835  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.208  -1.560  -0.208  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.887  -0.550   0.694  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.837  -0.714   1.580  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.110  -1.919   1.549  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.453  -2.928   0.617  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.517  -2.755  -0.271  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.825   0.597   0.528  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.653   1.518  -2.442  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.508   1.290  -2.065  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.270   0.627  -0.887  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.087   0.318  -0.380  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.061   0.419  -0.262  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.024  -0.056   0.872  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.821   0.934  -1.008  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.070   0.952  -2.516  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.298   1.798  -2.814  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.060  -2.112   2.483  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.264  -1.544   1.922  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -2.649  -1.994   1.103  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.663  -0.267   2.223  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.095   0.465   3.025  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.817   0.228   1.432  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -3.779   1.685   1.079  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1       -4.665   2.092   0.019  0.00  0.00    -0.487 OA
ATOM     28  C   LIG    1       -5.799   1.345  -0.146  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1       -5.946   0.050   0.365  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1       -7.131  -0.654   0.122  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -8.155  -0.068  -0.626  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.997   1.218  -1.142  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.816   1.922  -0.906  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1       -4.854  -0.559   1.114  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4