REMARK  Name = LIG001456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.136  -1.391   0.004  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        0.749  -0.337   0.010  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.429   0.500   0.495  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.210  -2.531  -0.294  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.187  -0.539  -0.104  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        2.872   0.773   0.297  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.791   1.241   1.433  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.456   1.502  -0.708  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        3.833   2.397  -0.425  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        3.164   1.406  -2.044  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        3.417   2.332  -2.810  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.448   0.158  -2.497  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.636  -0.974  -1.499  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  15
ATOM     14  C   LIG    1       -2.011   0.095   0.968  0.00  0.00    +0.132 A 
ATOM     15  C   LIG    1       -1.562  -1.104   0.373  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -2.490  -2.127   0.102  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -3.842  -1.968   0.400  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.284  -0.781   0.973  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.377   0.244   1.254  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -1.473   2.157   2.060  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -1.079   1.067   1.232  0.00  0.00    -0.494 OA
ENDBRANCH  14  21
ENDBRANCH   1  15
TORSDOF 3