@MOLECULE 71571564 68 71 1 SMALL USER_CHARGES @ATOM 1 F1 -0.2015 -1.5182 -1.8899 F 1 noname -0.1465 2 O1 1.5939 2.2281 -1.3286 O.3 1 noname -0.3783 3 O2 -2.8506 -3.9292 -5.3794 O.2 1 noname -0.2872 4 O3 -5.8393 -4.8020 -7.0474 O.3 1 noname -0.3152 5 O4 -6.3285 -4.0901 -4.5135 O.2 1 noname -0.2870 6 N1 0.7358 0.8431 0.9432 N.3 1 noname -0.2932 7 N2 1.1016 -1.8604 0.6172 N.3 1 noname -0.0765 8 N3 -5.0692 -5.1288 -6.0524 N.3 1 noname 0.0153 9 N4 -2.0359 -4.9395 -3.3574 N.3 1 noname -0.0321 10 N5 0.4780 -4.1456 0.5379 N.2 1 noname -0.2626 11 N6 -1.4644 -3.7807 -2.9856 N.3 1 noname -0.0352 12 N7 -0.7411 -5.0242 -1.1459 N.2 1 noname -0.2598 13 C1 -2.7292 -8.7966 -5.3452 C.3 1 noname -0.0406 14 C2 -1.6125 -9.7956 -5.4980 C.3 1 noname -0.0504 15 C3 -3.6985 -9.4115 -4.3476 C.3 1 noname -0.0504 16 C4 -2.4346 -11.0503 -5.7052 C.3 1 noname -0.0530 17 C5 -3.7032 -10.8617 -4.8477 C.3 1 noname -0.0530 18 C6 -2.2071 -7.4074 -4.9840 C.3 1 noname -0.0379 19 C7 2.0906 0.4278 0.3894 C.3 1 noname 0.0464 20 C8 -3.3165 -6.3191 -4.8915 C.3 1 noname 0.0497 21 C9 2.1598 -1.0810 0.0054 C.3 1 noname 0.0225 22 C10 0.0655 -0.0583 1.9333 C.3 1 noname 0.0120 23 C11 0.6348 -1.5079 1.9408 C.3 1 noname 0.0175 24 C12 2.5607 1.2626 -0.8366 C.3 1 noname 0.0636 25 C13 -0.2918 1.4932 0.0730 C.3 1 noname 0.0223 26 C14 -4.0870 -6.1267 -6.2193 C.3 1 noname 0.0430 27 C15 0.2301 1.7562 -1.3623 C.3 1 noname 0.0595 28 C16 -2.7365 -4.9200 -4.6257 C.2 1 noname 0.0633 29 C17 0.4863 -2.8931 -0.0479 C.2 1 noname 0.0840 30 C18 -0.1742 -2.6736 -1.2924 C.2 1 noname 0.0465 31 C19 -0.7971 -3.8315 -1.8160 C.2 1 noname 0.0875 32 C20 -0.1200 -5.2581 0.0416 C.2 1 noname 0.0449 33 C21 -5.2086 -4.5174 -4.8682 C.2 1 noname 0.0799 34 C22 -0.0992 -6.5578 0.7064 C.3 1 noname 0.0655 35 H1 -3.2870 -8.7677 -6.2812 H 1 noname 0.0303 36 H2 -4.6880 -8.9760 -4.4867 H 1 noname 0.0269 37 H3 -3.2945 -9.3561 -3.3367 H 1 noname 0.0269 38 H4 -1.0500 -9.5758 -6.4053 H 1 noname 0.0269 39 H5 -1.0156 -9.8439 -4.5872 H 1 noname 0.0269 40 H6 -4.5865 -11.0308 -5.4636 H 1 noname 0.0266 41 H7 -3.7139 -11.5235 -3.9817 H 1 noname 0.0266 42 H8 -2.7147 -11.1317 -6.7555 H 1 noname 0.0266 43 H9 -1.8863 -11.9559 -5.4458 H 1 noname 0.0266 44 H10 -1.6668 -7.4568 -4.0385 H 1 noname 0.0277 45 H11 -1.5195 -7.1050 -5.7738 H 1 noname 0.0277 46 H12 2.8189 0.5552 1.1916 H 1 noname 0.0504 47 H13 -4.0126 -6.5994 -4.0818 H 1 noname 0.0412 48 H14 2.1059 -1.1828 -1.0785 H 1 noname 0.0452 49 H15 3.1325 -1.4696 0.3069 H 1 noname 0.0452 50 H16 -1.0049 -0.0893 1.7300 H 1 noname 0.0444 51 H17 0.1739 0.3535 2.9367 H 1 noname 0.0444 52 H18 -0.1463 -2.2034 2.2477 H 1 noname 0.0448 53 H19 1.5006 -1.4837 2.6026 H 1 noname 0.0448 54 H20 2.8470 0.5905 -1.6455 H 1 noname 0.0583 55 H21 3.4876 1.7783 -0.5857 H 1 noname 0.0583 56 H22 -1.1801 0.8631 0.0269 H 1 noname 0.0454 57 H23 -0.5880 2.4173 0.5696 H 1 noname 0.0454 58 H24 -4.5660 -7.0645 -6.5005 H 1 noname 0.0468 59 H25 -3.3916 -5.8247 -7.0024 H 1 noname 0.0468 60 H26 -0.4004 2.5013 -1.8473 H 1 noname 0.0579 61 H27 0.2288 0.8018 -1.8889 H 1 noname 0.0579 62 H28 -1.9825 -5.7390 -2.8107 H 1 noname 0.1509 63 H29 -2.1764 -3.0489 -2.9400 H 1 noname 0.1496 64 H30 -4.4010 -4.4006 -4.2563 H 1 noname 0.1255 65 H31 -5.4233 -4.0764 -7.5580 H 1 noname 0.2383 66 H32 -1.1205 -6.8722 0.9215 H 1 noname 0.0312 67 H33 0.3773 -7.2911 0.0557 H 1 noname 0.0312 68 H34 0.4611 -6.4804 1.6381 H 1 noname 0.0312 @BOND 1 1 30 1 2 2 24 1 3 2 27 1 4 3 28 2 5 4 8 1 6 4 65 1 7 5 33 2 8 6 19 1 9 6 22 1 10 6 25 1 11 7 21 1 12 7 23 1 13 7 29 1 14 8 26 1 15 8 33 1 16 9 11 1 17 9 28 1 18 9 62 1 19 10 29 2 20 10 32 1 21 11 31 1 22 11 63 1 23 12 31 1 24 12 32 2 25 13 14 1 26 13 15 1 27 13 18 1 28 13 35 1 29 14 16 1 30 14 38 1 31 14 39 1 32 15 17 1 33 15 36 1 34 15 37 1 35 16 17 1 36 16 42 1 37 16 43 1 38 17 40 1 39 17 41 1 40 20 18 1 41 18 44 1 42 18 45 1 43 19 21 1 44 19 24 1 45 19 46 1 46 20 26 1 47 20 28 1 48 20 47 1 49 21 48 1 50 21 49 1 51 22 23 1 52 22 50 1 53 22 51 1 54 23 52 1 55 23 53 1 56 24 54 1 57 24 55 1 58 25 27 1 59 25 56 1 60 25 57 1 61 26 58 1 62 26 59 1 63 27 60 1 64 27 61 1 65 29 30 1 66 30 31 2 67 32 34 1 68 33 64 1 69 34 66 1 70 34 67 1 71 34 68 1 @SUBSTRUCTURE 1 noname 1