@MOLECULE 245492 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 -3.8117 4.0919 -0.5359 F 1 noname -0.1243 2 C1 -2.9694 3.1290 -0.2992 C.2 1 noname 0.0995 3 N1 -3.1418 2.3077 0.7839 N.2 1 noname -0.1750 4 C2 -1.8515 2.9151 -1.1672 C.2 1 noname 0.0307 5 C3 -2.2957 1.2660 1.0910 C.2 1 noname 0.0705 6 C4 -1.6367 3.7773 -2.3001 C.2 1 noname 0.0242 7 C5 -0.9757 1.8155 -0.8402 C.2 1 noname -0.0029 8 O1 -2.5447 0.5119 2.1827 O.3 1 noname -0.2402 9 C6 -1.1663 0.9684 0.2829 C.2 1 noname 0.0022 10 C7 -2.0082 5.1675 -2.3145 C.2 1 noname 0.0577 11 C8 -1.0347 3.2383 -3.4638 C.2 1 noname 0.0084 12 C9 -1.8837 1.0737 3.3069 C.3 1 noname 0.0563 13 F2 -2.5552 5.6730 -1.2478 F 1 noname -0.1594 14 C10 -1.8068 6.0142 -3.4359 C.2 1 noname 0.0455 15 C11 -0.8083 4.0508 -4.5996 C.2 1 noname 0.0153 16 C12 -2.1659 0.2190 4.5442 C.3 1 noname -0.0162 17 C13 -1.2081 5.4327 -4.5789 C.2 1 noname 0.0446 18 C14 -0.2316 3.5914 -5.7975 C.2 1 noname 0.0302 19 C15 -1.4538 0.8244 5.7555 C.3 1 noname -0.0002 20 N2 -1.0245 6.2098 -5.6921 N.2 1 noname -0.2395 21 N3 0.2675 2.3991 -6.1892 N.3 1 noname -0.1044 22 C16 -0.1046 4.4255 -6.9075 C.2 1 noname 0.0319 23 N4 -1.7234 0.0077 6.9377 N.3 1 noname -0.3092 24 C17 -0.4958 5.7700 -6.8653 C.2 1 noname 0.0277 25 C18 0.6581 2.5148 -7.4950 C.2 1 noname 0.1303 26 C19 0.3445 1.2566 -5.3267 C.3 1 noname 0.0285 27 N5 0.4194 3.7579 -7.9380 N.3 1 noname -0.1059 28 C20 -1.0430 0.5862 8.0952 C.3 1 noname -0.0136 29 C21 -3.1636 -0.0285 7.1869 C.3 1 noname -0.0136 30 O2 1.1635 1.5963 -8.1757 O.2 1 noname -0.2510 31 C22 1.7204 1.0814 -4.6803 C.3 1 noname -0.0099 32 C23 0.4236 -0.1563 -5.9100 C.3 1 noname -0.0099 33 C24 0.6713 4.2589 -9.2317 C.3 1 noname 0.0008 34 C25 1.8828 -0.2486 -5.4321 C.3 1 noname 0.0603 35 O3 2.7553 -0.0642 -6.5371 O.3 1 noname -0.3812 36 C26 2.9054 -1.2935 -7.2320 C.3 1 noname 0.0359 37 H1 -0.1176 1.6123 -1.4809 H 1 noname 0.0632 38 H2 -0.4901 0.1441 0.5098 H 1 noname 0.0667 39 H3 -0.7430 2.1883 -3.4856 H 1 noname 0.0637 40 H4 -0.8192 1.0034 3.0835 H 1 noname 0.0573 41 H5 -2.3456 2.0494 3.4581 H 1 noname 0.0573 42 H6 -2.0989 7.0642 -3.4200 H 1 noname 0.0676 43 H7 -3.2358 0.2916 4.7394 H 1 noname 0.0303 44 H8 -1.7094 -0.7544 4.3649 H 1 noname 0.0303 45 H9 -0.3810 0.7499 5.5774 H 1 noname 0.0431 46 H10 -1.9074 1.7959 5.9519 H 1 noname 0.0431 47 H11 -0.3929 6.4478 -7.7128 H 1 noname 0.0857 48 H12 -0.5635 1.5503 -4.8001 H 1 noname 0.0478 49 H13 -0.6678 -0.2138 8.7334 H 1 noname 0.0394 50 H14 -0.2097 1.2019 7.7565 H 1 noname 0.0394 51 H15 -1.7441 1.2019 8.6586 H 1 noname 0.0394 52 H16 -3.3464 -0.0331 8.2615 H 1 noname 0.0394 53 H17 -3.6314 0.8500 6.7425 H 1 noname 0.0394 54 H18 -3.5867 -0.9294 6.7425 H 1 noname 0.0394 55 H19 2.4217 1.8273 -5.0544 H 1 noname 0.0309 56 H20 1.6254 0.9123 -3.6077 H 1 noname 0.0309 57 H21 -0.2130 -0.8420 -5.3509 H 1 noname 0.0309 58 H22 0.3717 -0.1292 -6.9984 H 1 noname 0.0309 59 H23 0.8059 3.4274 -9.9235 H 1 noname 0.0404 60 H24 -0.1723 4.8683 -9.5559 H 1 noname 0.0404 61 H25 1.5748 4.8683 -9.2158 H 1 noname 0.0404 62 H26 2.2997 -1.1431 -4.9694 H 1 noname 0.0603 63 H27 3.0047 -2.1072 -6.5135 H 1 noname 0.0529 64 H28 2.0299 -1.4662 -7.8579 H 1 noname 0.0529 65 H29 3.7967 -1.2506 -7.8579 H 1 noname 0.0529 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 1 10 6 11 2 11 7 9 1 12 8 12 1 13 10 13 1 14 10 14 2 15 11 15 1 16 12 16 1 17 14 17 1 18 15 18 2 19 15 17 1 20 16 19 1 21 17 20 2 22 18 21 1 23 18 22 1 24 19 23 1 25 20 24 1 26 21 25 1 27 26 21 1 28 22 27 1 29 22 24 2 30 23 28 1 31 23 29 1 32 25 30 2 33 25 27 1 34 26 31 1 35 26 32 1 36 27 33 1 37 34 31 1 38 32 34 1 39 34 35 1 40 35 36 1 41 7 37 1 42 9 38 1 43 11 39 1 44 12 40 1 45 12 41 1 46 14 42 1 47 16 43 1 48 16 44 1 49 19 45 1 50 19 46 1 51 24 47 1 52 26 48 1 53 28 49 1 54 28 50 1 55 28 51 1 56 29 52 1 57 29 53 1 58 29 54 1 59 31 55 1 60 31 56 1 61 32 57 1 62 32 58 1 63 33 59 1 64 33 60 1 65 33 61 1 66 34 62 1 67 36 63 1 68 36 64 1 69 36 65 1 @SUBSTRUCTURE 1 noname 1