REMARK  Name = LIG001071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.847  -2.196   2.147  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1       -0.683  -2.952   2.200  0.00  0.00    -0.203 N 
ATOM      3  H   LIG    1       -0.750  -3.686   2.903  0.00  0.00    +0.178 HD
ATOM      4  O   LIG    1       -2.917  -2.621   2.571  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -2.955   2.155  -3.771  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.475   1.952  -2.365  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -2.590   0.703  -1.746  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.169   0.518  -0.417  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.639   1.598   0.320  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1       -1.227   1.469   1.595  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -1.323   0.254   2.200  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.800  -0.864   1.525  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1       -0.875   0.194   3.631  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -1.548   2.832  -0.305  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.253  -0.727   0.213  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -1.962   3.021  -1.628  0.00  0.00    +0.005 A 
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  N   LIG    1        0.570  -2.415   2.059  0.00  0.00    -0.187 NA
ATOM     18  C   LIG    1        0.907  -2.135   0.839  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.185  -1.473   0.515  0.00  0.00    -0.003 A 
ATOM     20  C   LIG    1        2.450  -1.143  -0.816  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        3.653  -0.496  -1.130  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        4.583  -0.183  -0.128  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        4.305  -0.519   1.198  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        3.108  -1.162   1.520  0.00  0.00    +0.009 A 
BRANCH  21  25
ATOM     25  N   LIG    1        3.942  -0.141  -2.525  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        3.112  -0.472  -3.384  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        4.997   0.462  -2.761  0.00  0.00    -0.126 OA
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   2  17
TORSDOF 4