REMARK Name = BDB026288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.986 -1.723 -0.122 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.242 -0.529 -0.248 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.138 -0.577 -0.466 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.827 -1.806 -0.566 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.063 -2.975 -0.427 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.647 -4.183 -0.479 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.316 -2.944 -0.210 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.230 -0.787 -0.516 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.696 -2.228 -0.626 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.952 -3.104 0.545 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.156 -2.798 1.303 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.767 -3.281 1.408 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.791 -2.086 1.456 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.382 -1.627 0.102 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.186 -2.197 -1.006 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.288 -1.825 -0.789 0.00 0.00 +0.079 A ATOM 17 N LIG 1 3.952 -0.744 -0.322 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 5.281 -0.656 -0.491 0.00 0.00 +0.218 A ATOM 19 N LIG 1 5.986 -1.617 -1.104 0.00 0.00 -0.223 NA ATOM 20 C LIG 1 5.312 -2.683 -1.565 0.00 0.00 +0.116 A ATOM 21 C LIG 1 3.955 -2.839 -1.441 0.00 0.00 +0.048 A BRANCH 18 22 ATOM 22 N LIG 1 5.936 0.454 0.009 0.00 0.00 -0.295 N ATOM 23 C LIG 1 5.089 1.600 0.361 0.00 0.00 +0.136 C ATOM 24 C LIG 1 5.972 2.778 0.801 0.00 0.00 +0.179 C ATOM 25 O LIG 1 6.895 3.219 -0.210 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 7.278 2.178 -1.123 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.274 0.773 -0.501 0.00 0.00 +0.136 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.989 0.661 -0.133 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.975 0.467 0.041 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.552 1.956 -0.233 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.580 2.352 -0.479 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.658 2.941 -0.062 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.356 3.173 1.198 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.342 4.092 1.243 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -3.717 4.861 0.031 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -4.623 5.683 0.058 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -2.988 4.586 -1.099 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.229 5.126 -1.923 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -1.978 3.657 -1.152 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -1.932 2.409 2.413 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -0.597 2.469 2.631 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.271 1.099 2.317 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.529 2.871 3.545 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6