REMARK  Name = LIG001674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.190   1.306  -0.964  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.119   0.908   0.007  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.388   0.565  -0.420  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.539   0.117   0.372  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.555  -0.175  -0.526  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.205   0.212  -1.886  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.556   0.043   1.585  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.772   0.606  -1.757  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.869   0.997  -2.729  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.573   1.342  -2.325  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.940  -0.434  -0.145  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.654   0.860   0.274  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.390   1.965  -0.197  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.716   0.710   1.137  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.207   1.558   1.383  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.262  -0.458   1.606  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.305  -0.454   2.254  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.569  -1.740   1.207  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.091  -1.506   0.934  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.219   1.675  -0.562  0.00  0.00    +0.044 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.091   0.434  -0.389  0.00  0.00    +0.101 C 
BRANCH  21  24
ATOM     22  N   LIG    1        4.287  -0.342   0.192  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        3.814  -1.232   0.095  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        3.521   0.793  -0.024  0.00  0.00    +0.218 C 
ATOM     25  O   LIG    1        3.903   1.954   0.049  0.00  0.00    -0.275 OA
BRANCH  22  31
ATOM     26  C   LIG    1        9.820  -0.913   1.609  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1        8.377  -0.718   1.238  0.00  0.00    -0.032 A 
ATOM     28  C   LIG    1        7.819   0.556   1.064  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1        8.771   1.986   1.267  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        6.470   0.711   0.719  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        5.653  -0.406   0.540  0.00  0.00    +0.035 A 
ATOM     32  C   LIG    1        6.207  -1.679   0.713  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1        7.553  -1.836   1.058  0.00  0.00    +0.006 A 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5