REMARK  Name = LIG001742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.873  -0.469   0.010  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.411  -1.458   0.873  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.057  -2.251   1.528  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.946  -1.396   0.853  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.566  -0.462  -0.102  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.223  -0.206  -0.335  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -0.742  -0.907   0.412  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -0.328  -1.848   1.376  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.030  -2.104   1.602  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.775   0.104  -0.766  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        6.441   3.374   0.810  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.234   2.219   0.449  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.049   1.922  -0.877  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.105   2.709  -1.509  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.510   0.773  -1.404  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.111   0.757  -2.568  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.273  -0.393  -0.429  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.274  -0.262   0.727  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.101   1.077   1.426  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1       -2.094  -0.602   0.141  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1       -2.252   0.090  -0.577  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -3.227  -1.203   0.678  0.00  0.00    +0.268 C 
ATOM     23  O   LIG    1       -3.215  -2.155   1.453  0.00  0.00    -0.268 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -4.496  -0.594   0.210  0.00  0.00    +0.148 A 
ATOM     25  N   LIG    1       -5.649  -1.286   0.238  0.00  0.00    -0.162 NA
ATOM     26  N   LIG    1       -6.600  -0.450  -0.238  0.00  0.00    -0.239 N 
ATOM     27  C   LIG    1       -6.052   0.786  -0.579  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1       -6.922   1.788  -1.096  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.232   1.514  -1.244  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.784   0.218  -0.886  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.960  -0.722  -0.396  0.00  0.00    +0.113 A 
ATOM     32  C   LIG    1       -4.710   0.718  -0.296  0.00  0.00    +0.062 A 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3