REMARK  Name = LIG001115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.322  -1.015  -0.378  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.518   0.046   0.010  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -1.873  -0.200   0.154  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1       -2.974   0.730   0.549  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.141  -0.145   0.541  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.835  -1.431   0.126  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.600  -2.355  -0.069  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.385  -1.473  -0.088  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.594  -2.534  -0.484  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.226  -2.295  -0.631  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.517   0.329   0.662  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.732   1.446   1.696  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.947   1.712   2.604  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.910   2.148   1.580  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.046   2.884   2.260  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.742   2.197   0.491  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.630   3.041   0.412  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.526   1.147  -0.571  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.055   0.785  -0.696  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.798  -0.774  -0.569  0.00  0.00    +0.140 C 
BRANCH  20  22
ATOM     21  C   LIG    1        3.280   0.212  -2.321  0.00  0.00    +0.289 C 
ATOM     22  N   LIG    1        2.060  -0.208  -1.871  0.00  0.00    -0.301 N 
ATOM     23  H   LIG    1        1.350  -0.270  -2.589  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1        3.444   0.574  -3.480  0.00  0.00    -0.261 OA
BRANCH  21  26
ATOM     25  C   LIG    1        5.312   0.212  -0.630  0.00  0.00    -0.055 C 
ATOM     26  C   LIG    1        4.394   0.220  -1.406  0.00  0.00    -0.003 C 
BRANCH  25  28
ATOM     27  C   LIG    1        7.114  -0.995   0.570  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        6.391   0.187   0.314  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        6.716   1.373   0.984  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1        7.728   1.386   1.943  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.405   0.209   2.248  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.085  -0.976   1.580  0.00  0.00    +0.024 A 
BRANCH  27  33
ATOM     33  N   LIG    1        6.749  -2.234   0.005  0.00  0.00    -0.357 N 
ATOM     34  H   LIG    1        6.315  -2.138  -0.909  0.00  0.00    +0.142 HD
ATOM     35  H   LIG    1        7.508  -2.908  -0.008  0.00  0.00    +0.142 HD
ENDBRANCH  27  33
ENDBRANCH  25  28
ENDBRANCH  21  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6