REMARK Name = LIG000263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.662 1.043 -0.267 0.00 0.00 -0.018 A ATOM 2 C LIG 1 0.144 2.024 -0.860 0.00 0.00 +0.012 A ATOM 3 C LIG 1 1.537 1.903 -0.861 0.00 0.00 +0.046 A ATOM 4 C LIG 1 2.158 0.804 -0.267 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.371 -0.180 0.328 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.025 -0.059 0.326 0.00 0.00 +0.012 A ENDROOT BRANCH 1 13 ATOM 7 N LIG 1 -6.592 0.131 -1.062 0.00 0.00 -0.282 N ATOM 8 C LIG 1 -6.346 1.300 -0.356 0.00 0.00 +0.248 C ATOM 9 O LIG 1 -7.149 2.086 0.108 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -4.889 1.427 -0.240 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.310 0.291 -0.797 0.00 0.00 -0.017 A ATOM 12 C LIG 1 -2.932 0.145 -0.814 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -2.128 1.165 -0.264 0.00 0.00 -0.018 A ATOM 14 C LIG 1 -2.753 2.309 0.294 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -4.144 2.447 0.314 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -5.372 -0.632 -1.291 0.00 0.00 +0.144 C BRANCH 7 21 ATOM 17 C LIG 1 -10.184 -1.867 1.541 0.00 0.00 +0.141 C ATOM 18 N LIG 1 -9.741 -1.238 0.309 0.00 0.00 -0.244 N ATOM 19 C LIG 1 -8.360 -1.145 0.109 0.00 0.00 +0.242 C ATOM 20 O LIG 1 -7.543 -1.659 0.878 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -7.910 -0.482 -1.204 0.00 0.00 +0.164 C ATOM 22 C LIG 1 -8.971 0.479 -1.720 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -10.257 -0.295 -1.921 0.00 0.00 +0.099 C ATOM 24 C LIG 1 -10.720 -0.945 -0.638 0.00 0.00 +0.222 C ATOM 25 O LIG 1 -11.904 -1.259 -0.505 0.00 0.00 -0.275 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 26 ATOM 26 O LIG 1 3.522 0.813 -0.339 0.00 0.00 -0.483 OA BRANCH 26 27 ATOM 27 C LIG 1 4.215 -0.268 0.266 0.00 0.00 +0.326 C BRANCH 27 28 ATOM 28 C LIG 1 5.732 -0.119 0.107 0.00 0.00 +0.270 C ATOM 29 N LIG 1 6.417 -1.122 0.805 0.00 0.00 -0.204 N ATOM 30 H LIG 1 5.897 -1.958 1.056 0.00 0.00 +0.177 HD ATOM 31 O LIG 1 6.258 0.774 -0.552 0.00 0.00 -0.270 OA BRANCH 29 32 ATOM 32 N LIG 1 7.768 -1.346 0.730 0.00 0.00 -0.188 NA ATOM 33 C LIG 1 8.549 -0.319 0.630 0.00 0.00 +0.140 C BRANCH 33 34 ATOM 34 C LIG 1 10.009 -0.501 0.514 0.00 0.00 +0.026 A ATOM 35 C LIG 1 10.560 -1.229 -0.558 0.00 0.00 +0.068 A ATOM 36 CL LIG 1 9.551 -1.870 -1.818 0.00 0.00 -0.081 Cl ATOM 37 C LIG 1 11.952 -1.390 -0.625 0.00 0.00 +0.060 A ATOM 38 CL LIG 1 12.732 -2.265 -1.899 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 12.776 -0.830 0.355 0.00 0.00 +0.022 A ATOM 40 C LIG 1 12.223 -0.102 1.408 0.00 0.00 +0.014 A ATOM 41 C LIG 1 10.833 0.072 1.505 0.00 0.00 +0.065 A BRANCH 41 42 ATOM 42 C LIG 1 10.248 0.842 2.664 0.00 0.00 +0.418 C ATOM 43 F LIG 1 11.188 1.260 3.558 0.00 0.00 -0.166 F ATOM 44 F LIG 1 9.598 1.967 2.263 0.00 0.00 -0.166 F ATOM 45 F LIG 1 9.353 0.117 3.385 0.00 0.00 -0.166 F ENDBRANCH 41 42 ENDBRANCH 33 34 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8