REMARK  Name = LIG000577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.668  -0.707  -0.162  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -1.460  -1.775  -0.616  0.00  0.00    +0.148 A 
ATOM      3  N   LIG    1       -1.153  -3.062  -1.008  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -2.310  -3.596  -1.336  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -3.348  -2.713  -1.178  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -2.817  -1.538  -0.719  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1       -3.461  -0.401  -0.429  0.00  0.00    -0.195 NA
ATOM      8  C   LIG    1       -2.631   0.571  -0.017  0.00  0.00    +0.219 A 
ATOM      9  N   LIG    1       -1.296   0.464   0.126  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -4.747  -2.998  -1.462  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -5.624  -2.891  -0.213  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.289  -2.136  -2.603  0.00  0.00    +0.030 C 
ENDBRANCH   5  10
BRANCH   1  13
ATOM     13  N   LIG    1        0.715  -0.840   0.004  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        1.049  -1.660  -0.500  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.468   0.374  -0.247  0.00  0.00    +0.138 C 
BRANCH  15  19
ATOM     16  C   LIG    1        5.696  -0.572  -0.158  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        4.951  -0.523   1.027  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.589  -0.216   0.996  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        2.945   0.053  -0.220  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.689  -0.006  -1.405  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.052  -0.313  -1.374  0.00  0.00    +0.004 A 
BRANCH  16  22
ATOM     22  C   LIG    1        7.168  -0.898  -0.122  0.00  0.00    +0.035 C 
BRANCH  22  23
ATOM     23  C   LIG    1        8.039   0.230   0.443  0.00  0.00    +0.004 C 
BRANCH  23  25
ATOM     24  C   LIG    1        9.021   2.524   0.091  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        8.080   1.465  -0.460  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   8  26
ATOM     26  N   LIG    1       -3.149   1.819   0.314  0.00  0.00    -0.308 N 
ATOM     27  H   LIG    1       -2.396   2.283   0.825  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  CA  LIG    1       -4.412   1.790   1.059  0.00  0.00    +0.098 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.587   1.997   0.090  0.00  0.00    +0.021 C 
ATOM     30  C   LIG    1       -6.948   1.834   0.752  0.00  0.00    +0.006 C 
ENDBRANCH  28  29
BRANCH  28  31
ATOM     31  C   LIG    1       -4.358   2.896   2.138  0.00  0.00    +0.178 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -3.174   2.772   2.934  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -3.100   1.843   3.215  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  26  28
ENDBRANCH   8  26
TORSDOF 12