REMARK  Name = LIG000669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.791  -0.053   0.775  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        4.904  -1.416   1.007  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.828  -2.013   1.525  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.675  -2.036   0.503  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.893  -1.040  -0.080  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.669  -1.346  -0.650  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        1.246  -2.680  -0.598  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.049  -3.678  -0.005  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.286  -3.359   0.553  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.593   0.273   0.009  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.149   4.227   0.106  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.548   3.198   0.402  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.574   2.102  -0.422  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.045   2.247  -1.305  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.666   1.066  -0.416  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.491   0.393  -1.429  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.926   0.851   0.915  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.523   2.208   1.485  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.766   3.060   1.687  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  O   LIG    1        0.984  -0.297  -1.187  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -0.137  -0.581  -2.031  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.433  -0.750  -1.271  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1       -2.440  -1.578  -1.786  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.655  -1.725  -1.112  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.898  -1.036   0.084  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -2.894  -0.201   0.593  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -1.679  -0.053  -0.081  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.213  -1.196   0.817  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.296  -0.269   0.469  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -6.763  -0.384  -0.922  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -7.971   0.535  -1.168  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -7.654   1.903  -0.873  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -7.226   2.026   0.490  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -6.001   1.141   0.774  0.00  0.00    +0.113 C 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6