REMARK Name = LIG000403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.931 -1.168 1.245 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -0.172 -0.932 0.462 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -0.232 -0.664 -0.962 0.00 0.00 +0.139 C ATOM 4 C LIG 1 -1.572 -0.033 -1.362 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -2.698 -0.788 -0.782 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -2.657 -0.695 0.698 0.00 0.00 +0.159 C ATOM 7 C LIG 1 -1.291 -0.961 1.257 0.00 0.00 +0.124 A ATOM 8 N LIG 1 -0.964 -1.173 2.514 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 0.402 -1.305 2.516 0.00 0.00 +0.139 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 6.799 -0.085 0.381 0.00 0.00 -0.282 N ATOM 11 C LIG 1 6.360 -1.179 -0.357 0.00 0.00 +0.248 C ATOM 12 O LIG 1 7.002 -1.904 -1.092 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.928 -1.337 -0.087 0.00 0.00 +0.042 A ATOM 14 C LIG 1 4.569 -0.413 0.889 0.00 0.00 -0.017 A ATOM 15 C LIG 1 3.262 -0.345 1.342 0.00 0.00 +0.016 A ATOM 16 C LIG 1 2.313 -1.220 0.786 0.00 0.00 +0.000 A ATOM 17 C LIG 1 2.705 -2.159 -0.195 0.00 0.00 +0.011 A ATOM 18 C LIG 1 4.027 -2.223 -0.642 0.00 0.00 +0.014 A ATOM 19 C LIG 1 5.768 0.364 1.317 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 8.545 4.049 -0.973 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.587 2.899 -0.544 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.671 2.655 0.803 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.707 3.476 1.392 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 8.432 1.466 1.451 0.00 0.00 +0.240 C ATOM 25 O LIG 1 8.258 1.452 2.669 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 8.223 0.225 0.567 0.00 0.00 +0.163 C ATOM 27 C LIG 1 8.981 0.441 -0.748 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.480 1.695 -1.447 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -3.984 -0.283 -1.298 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -5.165 -1.178 -0.958 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.326 -0.700 -0.306 0.00 0.00 -0.013 A ATOM 32 C LIG 1 -7.382 -1.597 -0.054 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -7.304 -2.934 -0.440 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.166 -3.402 -1.086 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.109 -2.532 -1.345 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -6.479 0.700 0.121 0.00 0.00 -0.009 A ATOM 37 C LIG 1 -7.126 1.664 -0.684 0.00 0.00 +0.025 A ATOM 38 C LIG 1 -7.240 2.986 -0.216 0.00 0.00 +0.010 A ATOM 39 C LIG 1 -6.717 3.356 1.023 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.085 2.408 1.819 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -5.972 1.091 1.374 0.00 0.00 +0.009 A BRANCH 37 42 ATOM 42 C LIG 1 -7.742 1.299 -2.013 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -8.957 0.700 -1.875 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -7.961 2.385 -2.813 0.00 0.00 -0.204 F ENDBRANCH 37 42 ENDBRANCH 31 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6