REMARK  Name = LIG000885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.792   0.609   0.211  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.767  -0.192  -0.915  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.588  -0.267  -1.805  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.508  -0.944  -0.876  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.770  -0.517   0.233  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.521  -1.063   0.517  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        0.058  -2.040  -0.382  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        0.812  -2.460  -1.498  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.060  -1.906  -1.756  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.528   0.565   0.931  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.712   2.636  -2.305  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.861   2.302  -1.483  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.705   3.024  -1.348  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.590   3.782  -2.006  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.646   2.794  -0.509  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.619   3.467  -0.596  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.782   1.645   0.490  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.218   1.159   0.671  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.028   1.085  -0.610  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  N   LIG    1       -0.223  -0.602   1.616  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1        0.317  -0.108   2.312  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.585  -0.701   1.860  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -2.030  -0.310   3.241  0.00  0.00    +0.058 C 
ATOM     24  C   LIG    1       -3.339  -0.142   3.420  0.00  0.00    +0.073 C 
ATOM     25  N   LIG    1       -4.229  -0.328   2.398  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -5.185  -0.518   2.688  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -3.842  -1.174   1.280  0.00  0.00    +0.267 C 
ATOM     28  N   LIG    1       -2.419  -1.094   0.952  0.00  0.00    -0.232 NA
BRANCH  27  29
ATOM     29  N   LIG    1       -4.684  -1.068   0.091  0.00  0.00    -0.261 NA
ATOM     30  C   LIG    1       -4.479   0.157  -0.711  0.00  0.00    +0.085 C 
ATOM     31  C   LIG    1       -5.151  -0.208  -2.043  0.00  0.00    +0.022 C 
ATOM     32  C   LIG    1       -5.193  -1.729  -2.086  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -4.450  -2.173  -0.841  0.00  0.00    +0.088 C 
BRANCH  30  34
ATOM     34  C   LIG    1       -5.107   1.437  -0.132  0.00  0.00    +0.174 C 
BRANCH  34  35
ATOM     35  O   LIG    1       -4.304   2.013   0.891  0.00  0.00    -0.393 OA
ATOM     36  H   LIG    1       -4.146   1.288   1.533  0.00  0.00    +0.209 HD
ENDBRANCH  34  35
ENDBRANCH  30  34
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6