REMARK  Name = LIG000229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.774  -1.790   0.509  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        2.759  -0.895   0.067  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        4.077  -0.958   0.551  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        4.368  -1.963   1.486  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        3.387  -2.858   1.931  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        2.088  -2.770   1.444  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        5.081  -0.034   0.097  0.00  0.00    -0.255 N 
ATOM      8  C   LIG    1        6.456  -0.291   0.187  0.00  0.00    +0.313 C 
ATOM      9  O   LIG    1        6.994  -1.324   0.576  0.00  0.00    -0.252 OA
ATOM     10  N   LIG    1        7.265   0.719  -0.286  0.00  0.00    -0.240 N 
ATOM     11  H   LIG    1        8.251   0.505  -0.242  0.00  0.00    +0.159 HD
ATOM     12  C   LIG    1        6.920   1.567  -1.302  0.00  0.00    +0.222 C 
ATOM     13  O   LIG    1        7.770   2.113  -2.001  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        5.449   1.714  -1.565  0.00  0.00    +0.115 C 
ATOM     15  C   LIG    1        4.698   1.316  -0.313  0.00  0.00    +0.124 C 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  C   LIG    1       -0.672  -1.619  -0.450  0.00  0.00    -0.078 C 
ATOM     17  C   LIG    1        0.444  -1.699  -0.012  0.00  0.00    -0.065 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -2.031  -1.520  -0.983  0.00  0.00    +0.197 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -4.039  -0.201  -0.592  0.00  0.00    +0.401 C 
ATOM     20  N   LIG    1       -2.802  -0.600  -0.196  0.00  0.00    -0.270 N 
ATOM     21  H   LIG    1       -2.583  -0.454   0.778  0.00  0.00    +0.153 HD
ATOM     22  O   LIG    1       -4.541  -0.458  -1.674  0.00  0.00    -0.226 OA
BRANCH  19  23
ATOM     23  O   LIG    1       -4.610   0.504   0.410  0.00  0.00    -0.445 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -6.987  -0.052   0.082  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -5.944   1.056   0.263  0.00  0.00    +0.107 C 
ATOM     26  C   LIG    1       -5.999   2.086  -0.870  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -6.218   1.774   1.593  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  17
TORSDOF 6