REMARK  Name = LIG000953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.941  -0.445  -0.133  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.154   0.437  -0.084  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.429  -0.086   0.071  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.745   0.614   0.141  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -3.676  -0.483   0.374  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.051  -1.720   0.312  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -3.565  -2.821   0.366  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.615  -1.461   0.166  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.567  -2.356   0.114  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.723  -1.834  -0.036  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.124  -0.345   0.277  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.589  -0.049  -1.159  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.869  -0.112  -2.152  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.908   0.325  -1.281  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.198   0.536  -2.227  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.648   0.949  -0.310  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.637   1.617  -0.597  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.189   0.756   1.117  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.671   0.735   1.206  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1        3.441  -0.509  -0.274  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        2.217   0.135  -0.297  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        2.235   1.144  -0.370  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        3.647  -1.690  -0.023  0.00  0.00    -0.270 OA
BRANCH  20  26
ATOM     24  C   LIG    1        6.927   0.916  -0.052  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        5.805   0.115   0.162  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1        4.615   0.370  -0.536  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.557   1.410  -1.473  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.678   2.211  -1.685  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.852   1.966  -0.972  0.00  0.00    +0.045 A 
BRANCH  24  31
ATOM     30  C   LIG    1        8.294  -0.322   1.448  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        8.139   0.783   0.565  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  20  26
ENDBRANCH   1  21
TORSDOF 4