REMARK  Name = LIG000947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.559   0.469   0.698  0.00  0.00    +0.401 C 
ATOM      2  N   LIG    1        2.560   0.709  -0.191  0.00  0.00    -0.269 N 
ATOM      3  H   LIG    1        2.269   1.133  -1.066  0.00  0.00    +0.153 HD
ATOM      4  O   LIG    1        1.665  -0.232   1.692  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.796  -0.040  -0.150  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1        4.696   0.335  -1.312  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        4.333   0.587  -2.450  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        5.976   0.353  -0.866  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        6.763   0.585  -1.451  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        6.050   0.361   0.488  0.00  0.00    +0.221 C 
ATOM     11  O   LIG    1        7.078   0.507   1.128  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.671   0.236   1.069  0.00  0.00    +0.128 C 
ENDBRANCH   2   5
BRANCH   1  13
ATOM     13  O   LIG    1        0.441   1.113   0.293  0.00  0.00    -0.450 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -0.713   0.949   1.133  0.00  0.00    +0.237 C 
BRANCH  14  18
ATOM     15  C   LIG    1       -4.303  -0.807  -0.260  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1       -3.991  -0.021   1.025  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1       -2.710  -0.521   1.686  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -1.482  -0.333   0.773  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -1.849  -0.350  -0.726  0.00  0.00    +0.008 C 
ATOM     20  C   LIG    1       -3.035  -1.270  -0.996  0.00  0.00    +0.019 C 
BRANCH  15  21
ATOM     21  N   LIG    1       -5.144   0.006  -1.140  0.00  0.00    -0.327 NA
ATOM     22  H   LIG    1       -4.639   0.841  -1.432  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1       -5.963   0.333  -0.628  0.00  0.00    +0.118 HD
ENDBRANCH  15  21
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5