REMARK  Name = LIG001442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.224   0.236  -1.006  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.968  -0.395  -2.213  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.754  -0.655  -3.104  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.464  -0.709  -2.234  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.204  -1.300  -3.239  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.561  -1.504  -2.997  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.134  -1.119  -1.768  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.368  -0.518  -0.750  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        1.016  -0.320  -1.012  0.00  0.00    -0.010 A 
ATOM     10  C   LIG    1       -0.055   0.248  -0.136  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.513   0.971   2.327  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.701   0.827   1.418  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.231  -0.416   1.080  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.537  -1.163   1.690  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.071  -0.678   0.387  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -2.497  -1.756   0.524  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -2.583   0.460  -0.526  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.729   1.786   0.213  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.186   1.989   0.601  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        2.975  -0.135   0.522  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.226   1.198   0.844  0.00  0.00    +0.119 A 
ATOM     22  N   LIG    1        3.765   1.619   2.013  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        4.086   0.663   2.910  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        3.889  -0.691   2.692  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.326  -1.091   1.482  0.00  0.00    +0.011 A 
ENDBRANCH   8  20
TORSDOF 2