REMARK  Name = LIG000905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.500  -0.577   0.798  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.395  -0.110  -0.182  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.753  -0.332  -0.010  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -3.901   0.056  -0.884  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -5.043  -0.495  -0.166  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.678  -1.085   1.034  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -5.406  -1.550   1.889  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.215  -1.009   1.114  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.369  -1.476   2.097  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -0.997  -1.254   1.929  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.436  -0.208  -0.499  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.751  -0.160  -2.003  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.029  -0.628  -2.880  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.946   0.433  -2.343  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.145   0.469  -3.334  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.691   1.287  -1.570  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.581   1.972  -2.065  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.376   1.309  -0.095  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.891   1.100   0.153  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        1.939  -0.674   1.386  0.00  0.00    +0.218 C 
ATOM     21  N   LIG    1        0.870  -0.328   0.573  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        1.098   0.161  -0.284  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.879  -1.259   2.460  0.00  0.00    -0.275 OA
BRANCH  20  24
ATOM     24  C   LIG    1        3.259  -0.233   0.778  0.00  0.00    +0.101 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.447  -0.594   1.666  0.00  0.00    +0.044 C 
BRANCH  25  29
ATOM     26  C   LIG    1        8.153   0.673  -0.165  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        7.436   1.542   0.660  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        6.243   1.134   1.261  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.749  -0.157   1.042  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1        6.466  -1.024   0.210  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        7.662  -0.613  -0.389  0.00  0.00    +0.046 A 
BRANCH  26  33
ATOM     32  C   LIG    1       10.092   0.339  -1.499  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        9.302   1.200  -0.688  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   1  21
TORSDOF 6