REMARK Name = LIG001491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.646 -0.560 -0.261 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.183 -1.838 0.033 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.825 -2.858 0.189 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.722 -1.757 0.117 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -1.340 -0.468 -0.232 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -0.000 -0.109 -0.240 0.00 0.00 +0.029 A ATOM 7 C LIG 1 0.956 -1.071 0.112 0.00 0.00 +0.034 A ATOM 8 C LIG 1 0.540 -2.376 0.464 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -0.812 -2.732 0.466 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.541 0.341 -0.591 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -6.313 2.533 2.093 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -6.048 1.662 1.268 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -5.806 1.987 -0.043 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -5.871 2.970 -0.268 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.269 1.182 -1.019 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.878 1.673 -2.077 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.035 -0.292 -0.651 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.053 -0.689 0.425 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -5.908 0.208 1.645 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 2.344 -0.815 0.147 0.00 0.00 -0.281 N ATOM 21 H LIG 1 2.926 -1.600 0.408 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 2.990 0.351 -0.221 0.00 0.00 +0.248 C ATOM 23 O LIG 1 2.479 1.354 -0.704 0.00 0.00 -0.270 OA BRANCH 22 24 ATOM 24 C LIG 1 4.468 0.339 -0.032 0.00 0.00 +0.038 A ATOM 25 C LIG 1 5.266 1.019 -0.962 0.00 0.00 +0.025 A ATOM 26 C LIG 1 6.663 1.043 -0.825 0.00 0.00 +0.056 A ATOM 27 C LIG 1 7.249 0.370 0.259 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.455 -0.292 1.198 0.00 0.00 +0.001 A ATOM 29 C LIG 1 5.067 -0.304 1.059 0.00 0.00 +0.013 A BRANCH 26 30 ATOM 30 C LIG 1 7.519 1.752 -1.847 0.00 0.00 +0.417 C ATOM 31 F LIG 1 7.782 0.966 -2.928 0.00 0.00 -0.166 F ATOM 32 F LIG 1 8.731 2.134 -1.359 0.00 0.00 -0.166 F ATOM 33 F LIG 1 6.941 2.883 -2.336 0.00 0.00 -0.166 F ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 7 20 TORSDOF 4