REMARK  Name = LIG000241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.767   0.301   0.113  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -2.780  -0.491  -0.280  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -2.356  -1.554  -0.974  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.050  -1.880  -1.284  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -0.991  -3.053  -2.011  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -2.247  -3.426  -2.142  0.00  0.00    +0.201 A 
ATOM      7  C   LIG    1       -0.050  -1.005  -0.826  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -3.110  -2.551  -1.533  0.00  0.00    -0.312 N 
ATOM      9  N   LIG    1       -0.459   0.088  -0.126  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.562  -2.651  -1.487  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -5.176  -2.585  -2.885  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -5.015  -3.905  -0.739  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   1  13
ATOM     13  N   LIG    1       -2.039   1.461   0.828  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -1.150   1.711   1.261  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  CA  LIG    1       -3.144   1.384   1.785  0.00  0.00    +0.098 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.273   3.502   0.932  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -3.594   2.821   2.114  0.00  0.00    +0.021 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1       -2.685   0.646   3.064  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.545   1.267   3.659  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -1.824   2.126   4.019  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  N   LIG    1        1.296  -1.283  -1.110  0.00  0.00    -0.298 N 
ATOM     22  H   LIG    1        1.385  -2.139  -1.647  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.497  -0.646  -0.773  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        2.580   0.495   0.023  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        3.817   1.092   0.313  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.023   0.579  -0.192  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.935  -0.573  -0.988  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        3.697  -1.169  -1.274  0.00  0.00    +0.024 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.313   1.232   0.117  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        6.389   1.851   1.324  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        7.550   2.459   1.654  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.662   2.495   0.834  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        8.578   1.871  -0.403  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.393   1.234  -0.768  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 9