REMARK  Name = LIG000048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.266  -0.354   0.213  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1        0.923   0.321  -0.804  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1        0.382   0.897  -1.442  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1        0.749  -1.003   1.131  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.198   2.184   0.762  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -1.892   0.916   0.357  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.202  -0.267   0.123  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -1.919  -1.420  -0.187  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -3.313  -1.359  -0.295  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.951  -0.116  -0.078  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -5.345  -0.061  -0.196  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1       -6.086  -1.211  -0.518  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.446  -2.427  -0.726  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.063   1.243   0.030  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -4.062  -2.502  -0.615  0.00  0.00    +0.010 A 
ATOM     16  N   LIG    1       -3.244   0.991   0.237  0.00  0.00    -0.251 NA
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        2.268   0.551  -0.899  0.00  0.00    -0.187 NA
ATOM     18  C   LIG    1        3.098  -0.270  -0.341  0.00  0.00    +0.142 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.570  -0.077  -0.342  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        5.239   0.932  -1.046  0.00  0.00    +0.125 A 
ATOM     21  C   LIG    1        6.632   1.031  -0.976  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        7.363   0.125  -0.206  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.705  -0.883   0.496  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.314  -0.984   0.428  0.00  0.00    +0.013 A 
BRANCH  20  25
ATOM     25  O   LIG    1        4.558   1.827  -1.820  0.00  0.00    -0.506 OA
ATOM     26  H   LIG    1        5.173   2.477  -2.192  0.00  0.00    +0.292 HD
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   2  17
TORSDOF 4