REMARK  Name = LIG001997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.437   0.361  -1.267  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        1.536   1.541  -0.814  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1        0.892   1.442  -2.142  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1        0.682   2.427  -3.072  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1        0.707   2.231  -4.283  0.00  0.00    -0.271 OA
ATOM      6  C   LIG    1        1.453   0.124  -2.429  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.429  -2.909   1.575  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        4.381  -1.957   1.225  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        4.052  -0.934   0.328  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1        2.772  -0.823  -0.253  0.00  0.00    -0.040 A 
ATOM     11  C   LIG    1        1.834  -1.806   0.128  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.152  -2.832   1.026  0.00  0.00    +0.017 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.034  -4.834   3.263  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        3.758  -3.956   2.492  0.00  0.00    -0.070 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1        0.613   1.342   0.434  0.00  0.00    +0.238 C 
ATOM     16  N   LIG    1       -0.638   0.856   0.110  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -0.847   0.724  -0.881  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        0.979   1.615   1.579  0.00  0.00    -0.273 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -1.719   0.514   0.955  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1       -2.878   0.063   0.303  0.00  0.00    +0.092 A 
ATOM     21  C   LIG    1       -3.994  -0.297   1.087  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.148  -0.745   0.430  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -5.170  -0.823  -0.957  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.032  -0.452  -1.646  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -3.936  -0.206   2.487  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -2.775   0.240   3.112  0.00  0.00    +0.003 A 
ATOM     27  N   LIG    1       -2.900  -0.018  -1.050  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -1.666   0.600   2.349  0.00  0.00    +0.025 A 
ENDBRANCH  16  19
ENDBRANCH   2  15
BRANCH   4  29
ATOM     29  C   LIG    1        0.465   3.804  -2.566  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -0.387   4.110  -1.580  0.00  0.00    +0.013 C 
ENDBRANCH   4  29
TORSDOF 5