@MOLECULE 91938019 46 49 1 SMALL USER_CHARGES @ATOM 1 F1 7.6532 -5.9188 -1.9154 F 1 noname -0.1696 2 F2 5.6353 -5.3847 -1.1240 F 1 noname -0.1696 3 F3 7.4306 -5.3111 0.2235 F 1 noname -0.1696 4 O1 5.5955 -1.5178 -2.2578 O.2 1 noname -0.2916 5 N1 4.4942 -1.5498 -0.2453 N.3 1 noname -0.0620 6 N2 0.0823 -0.6135 -1.1499 N.3 1 noname 0.0057 7 N3 -0.6335 1.0628 0.1414 N.2 1 noname -0.2195 8 N4 6.5259 -2.7537 -0.6091 N.3 1 noname -0.0655 9 N5 -1.8643 -0.1088 -3.0398 N.2 1 noname -0.2059 10 N6 -0.7666 -1.8906 -4.2869 N.3 1 noname -0.0320 11 C1 2.7749 -1.7505 1.4072 C.3 1 noname -0.0189 12 C2 2.2053 -1.3550 0.0210 C.3 1 noname 0.0165 13 C3 4.2617 -2.0126 1.0900 C.3 1 noname 0.0106 14 C4 3.4100 -0.7587 -0.7112 C.3 1 noname 0.0156 15 C5 2.6989 -0.6940 2.5418 C.3 1 noname -0.0514 16 C6 0.9807 -0.5133 -0.1491 C.2 1 noname -0.0479 17 C7 1.3975 -0.7849 3.3826 C.3 1 noname -0.0650 18 C8 5.5513 -1.9110 -1.0602 C.2 1 noname -0.0338 19 C9 0.5227 0.5881 0.6031 C.2 1 noname 0.0212 20 C10 -0.8683 0.3317 -0.9440 C.2 1 noname -0.0190 21 C11 0.0334 -1.3938 -2.2720 C.2 1 noname -0.0283 22 C12 -0.9345 -1.0863 -3.2322 C.2 1 noname 0.0751 23 C13 -1.8807 0.5918 -1.8722 C.2 1 noname 0.0494 24 C14 0.7626 -2.4672 -2.7863 C.2 1 noname -0.0211 25 C15 7.2749 -3.6296 -1.4434 C.3 1 noname 0.1000 26 C16 0.2314 -2.7465 -4.0369 C.2 1 noname -0.1039 27 C17 6.9801 -5.0897 -1.0552 C.3 1 noname 0.4013 28 H1 2.3499 -2.7110 1.7338 H 1 noname 0.0323 29 H2 2.0076 -2.3303 -0.4282 H 1 noname 0.0383 30 H3 4.4615 -3.0828 1.1436 H 1 noname 0.0439 31 H4 4.9505 -1.5646 1.8063 H 1 noname 0.0439 32 H5 3.2903 -0.9027 -1.7850 H 1 noname 0.0443 33 H6 3.5280 0.2705 -0.3723 H 1 noname 0.0443 34 H7 2.7863 0.3050 2.1145 H 1 noname 0.0267 35 H8 3.5237 -0.8773 3.2304 H 1 noname 0.0267 36 H9 1.4109 -0.0180 4.1570 H 1 noname 0.0230 37 H10 0.5347 -0.6317 2.7344 H 1 noname 0.0230 38 H11 1.3330 -1.7690 3.8469 H 1 noname 0.0230 39 H12 1.0301 1.0916 1.3334 H 1 noname 0.0856 40 H13 6.6527 -2.8377 0.3461 H 1 noname 0.1327 41 H14 -2.5529 1.3445 -1.6835 H 1 noname 0.0877 42 H15 1.5335 -2.9946 -2.3787 H 1 noname 0.0657 43 H16 6.9958 -3.4670 -2.4844 H 1 noname 0.0527 44 H17 8.3464 -3.4944 -1.2964 H 1 noname 0.0527 45 H18 -1.2947 -1.8584 -5.0895 H 1 noname 0.1537 46 H19 0.5513 -3.4912 -4.6500 H 1 noname 0.0790 @BOND 1 1 27 1 2 2 27 1 3 3 27 1 4 4 18 2 5 5 13 1 6 5 14 1 7 5 18 1 8 6 16 1 9 6 20 1 10 6 21 1 11 7 19 1 12 7 20 2 13 8 18 1 14 8 25 1 15 8 40 1 16 9 22 1 17 9 23 2 18 10 22 1 19 10 26 1 20 10 45 1 21 11 12 1 22 11 13 1 23 11 15 1 24 11 28 1 25 12 14 1 26 12 16 1 27 12 29 1 28 13 30 1 29 13 31 1 30 14 32 1 31 14 33 1 32 15 17 1 33 15 34 1 34 15 35 1 35 16 19 2 36 17 36 1 37 17 37 1 38 17 38 1 39 19 39 1 40 20 23 1 41 21 22 2 42 21 24 1 43 23 41 1 44 24 26 2 45 24 42 1 46 25 27 1 47 25 43 1 48 25 44 1 49 26 46 1 @SUBSTRUCTURE 1 noname 1