REMARK  Name = LIG001941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.150  -0.328   0.086  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -0.827  -1.161  -0.451  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1       -0.633  -2.162  -1.114  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.131  -0.593  -0.065  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -1.885   0.600   0.621  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -2.931   1.369   1.105  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -4.236   0.916   0.890  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -4.480  -0.286   0.201  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.417  -1.051  -0.284  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1       -0.418   0.860   0.700  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        5.393   0.915  -0.888  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.280   0.417  -0.746  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        3.290   0.618  -1.674  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        3.534   1.268  -2.410  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        1.939   0.516  -1.429  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        1.140   1.179  -2.086  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        1.553  -0.446  -0.292  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        2.495  -0.219   0.886  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        3.930  -0.454   0.438  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   9  20
ATOM     20  O   LIG    1       -3.644  -2.215  -0.947  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -4.598  -2.352  -1.052  0.00  0.00    +0.292 HD
ENDBRANCH   9  20
TORSDOF 2