REMARK  Name = LIG000936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.879  -0.063   0.013  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        4.169  -0.847   0.912  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.591  -1.488   1.854  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.755  -0.755   0.532  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.654  -1.398   1.085  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.392  -1.125   0.544  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        0.289  -0.233  -0.528  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.928   0.288  -1.238  0.00  0.00    +0.034 C 
ATOM      9  C   LIG    1       -1.567   1.439  -0.415  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1       -3.046   1.688  -0.734  0.00  0.00    +0.086 C 
ATOM     11  N   LIG    1       -4.005   0.753  -0.133  0.00  0.00    -0.298 NA
ATOM     12  C   LIG    1       -3.471  -0.533   0.309  0.00  0.00    +0.085 C 
ATOM     13  C   LIG    1       -2.865  -1.439  -0.760  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -1.906  -0.788  -1.756  0.00  0.00    +0.016 C 
ATOM     15  C   LIG    1       -0.180   0.886  -2.471  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        1.164   1.249  -2.081  0.00  0.00    -0.490 OA
ATOM     17  C   LIG    1        1.422   0.389  -1.053  0.00  0.00    +0.130 A 
ATOM     18  C   LIG    1        2.659   0.143  -0.525  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        3.993   0.693  -0.868  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1        9.899   0.839   2.095  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        8.814   0.619   1.564  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1        7.709   1.371   1.877  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1        7.841   2.080   2.585  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        6.470   1.344   1.278  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1        5.624   2.189   1.567  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1        6.283   0.300   0.167  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        7.204  -0.898   0.395  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        8.644  -0.417   0.478  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
BRANCH  11  29
ATOM     29  C   LIG    1       -5.235   0.662  -0.933  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.411   0.066  -0.188  0.00  0.00    -0.033 A 
ATOM     31  C   LIG    1       -7.059  -1.079  -0.673  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -8.150  -1.618   0.010  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.607  -1.018   1.183  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.973   0.122   1.674  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -6.882   0.662   0.992  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  11  29
TORSDOF 3