@MOLECULE FDBD03185 60 64 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0184 1.5028 0.0103 C.3 1 UNK 0.0231 2 C1 0.0021 -0.0041 0.0020 C.ar 1 UNK 0.2080 3 C2 0.0084 -0.7958 -1.0953 C.ar 1 UNK 0.0403 4 C3 0.0287 -2.1267 -0.6656 C.ar 1 UNK 0.1819 5 C4 0.0426 -3.3426 -1.5559 C.3 1 UNK 0.4375 6 F 1.3657 -3.7003 -1.8362 F 1 UNK -0.1643 7 F1 -0.5997 -4.4028 -0.9073 F 1 UNK -0.1643 8 F2 -0.6255 -3.0534 -2.7506 F 1 UNK -0.1643 9 N 0.0344 -2.1338 0.6427 N.ar 1 UNK -0.1579 10 N1 0.0233 -0.8055 1.0876 N.ar 1 UNK -0.1035 11 C5 0.0249 -0.3643 2.4846 C.3 1 UNK 0.2491 12 C6 1.4462 -0.1997 2.9577 C.2 1 UNK 0.2836 13 O 2.3671 -0.4284 2.2023 O.2 1 UNK -0.2685 14 N2 1.6940 0.2016 4.2203 N.am 1 UNK -0.2962 15 C7 0.5890 0.4764 5.1488 C.3 1 UNK 0.0155 16 C8 0.7680 1.8845 5.7252 C.3 1 UNK -0.0283 17 C9 2.1594 2.0018 6.3516 C.3 1 UNK 0.0106 18 C10 3.2253 1.7812 5.2758 C.3 1 UNK -0.0283 19 C11 3.0742 0.3666 4.6961 C.3 1 UNK 0.0155 20 C12 2.3265 3.3749 6.9498 C.ar 1 UNK 0.0822 21 N3 2.5692 3.6081 8.1914 N.ar 1 UNK -0.2424 22 C13 2.6893 4.8788 8.5569 C.ar 1 UNK 0.0958 23 C14 2.5339 5.7587 7.5410 C.ar 1 UNK 0.0046 24 S 2.2270 4.8373 6.0711 S.2 1 UNK -0.0796 25 C15 2.9661 5.2934 9.9439 C.2 1 UNK 0.1097 26 N4 3.0879 6.5108 10.3605 N.2 1 UNK -0.0867 27 O1 3.3592 6.5922 11.7458 O.2 1 UNK -0.3849 28 C16 3.0092 5.3231 12.3341 C.3 1 UNK 0.1641 29 C17 3.1508 4.3650 11.1292 C.3 1 UNK 0.0389 30 C18 3.9702 4.9557 13.4353 C.ar 1 UNK 0.0659 31 C19 5.3303 5.1428 13.2586 C.ar 1 UNK 0.1329 32 C20 6.2124 4.8049 14.2711 C.ar 1 UNK -0.0259 33 C21 5.7353 4.2809 15.4577 C.ar 1 UNK -0.0563 34 C22 4.3776 4.0932 15.6350 C.ar 1 UNK -0.0259 35 C23 3.4931 4.4362 14.6262 C.ar 1 UNK 0.1329 36 F3 2.1659 4.2526 14.7998 F 1 UNK -0.2050 37 F4 5.7969 5.6546 12.0986 F 1 UNK -0.2050 38 H -0.0191 1.8539 1.0210 H 1 UNK 0.0337 39 H1 -0.8989 1.8503 -0.4886 H 1 UNK 0.0337 40 H2 0.8482 1.8741 -0.4957 H 1 UNK 0.0337 41 H3 -0.0002 -0.4744 -2.0759 H 1 UNK 0.0702 42 H4 0.0447 -2.9344 1.2156 H 1 UNK 0.2365 43 H5 -0.4702 -1.0947 3.0899 H 1 UNK 0.1157 44 H6 -0.4880 0.5714 2.5637 H 1 UNK 0.1157 45 H7 0.5991 -0.2412 5.9425 H 1 UNK 0.0465 46 H8 -0.3455 0.4110 4.6317 H 1 UNK 0.0465 47 H9 0.0234 2.0619 6.4728 H 1 UNK 0.0287 48 H10 0.6650 2.6076 4.9432 H 1 UNK 0.0287 49 H11 2.2684 1.2626 7.1175 H 1 UNK 0.0370 50 H12 4.1979 1.8884 5.7087 H 1 UNK 0.0287 51 H13 3.1034 2.5037 4.4960 H 1 UNK 0.0287 52 H14 3.7548 0.2362 3.8808 H 1 UNK 0.0465 53 H15 3.2918 -0.3626 5.4483 H 1 UNK 0.0465 54 H16 2.5859 6.7868 7.6141 H 1 UNK 0.0716 55 H17 2.0409 5.3066 12.7891 H 1 UNK 0.0817 56 H18 4.1169 3.9053 11.1128 H 1 UNK 0.0370 57 H19 2.4534 3.5537 11.1467 H 1 UNK 0.0370 58 H20 7.2264 4.9444 14.1396 H 1 UNK 0.0646 59 H21 6.3934 4.0296 16.2119 H 1 UNK 0.0619 60 H22 4.0228 3.6973 16.5195 H 1 UNK 0.0646 @BOND 1 1 2 1 2 2 10 ar 3 2 3 ar 4 3 4 ar 5 4 5 1 6 4 9 ar 7 5 6 1 8 5 7 1 9 5 8 1 10 9 10 ar 11 10 11 1 12 11 12 1 13 12 13 2 14 12 14 am 15 14 19 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 17 20 1 21 18 19 1 22 20 24 ar 23 20 21 ar 24 21 22 ar 25 22 23 ar 26 22 25 1 27 23 24 ar 28 25 29 1 29 25 26 2 30 26 27 1 31 27 28 1 32 28 29 1 33 28 30 1 34 30 35 ar 35 30 31 ar 36 31 32 ar 37 31 37 1 38 32 33 ar 39 33 34 ar 40 34 35 ar 41 35 36 1 42 1 38 1 43 1 39 1 44 1 40 1 45 3 41 1 46 9 42 1 47 11 43 1 48 11 44 1 49 15 45 1 50 15 46 1 51 16 47 1 52 16 48 1 53 17 49 1 54 18 50 1 55 18 51 1 56 19 52 1 57 19 53 1 58 23 54 1 59 28 55 1 60 29 56 1 61 29 57 1 62 32 58 1 63 33 59 1 64 34 60 1