@MOLECULE 245499 69 74 1 SMALL USER_CHARGES @ATOM 1 F1 -1.1401 1.7160 -2.2701 F 1 noname -0.1601 2 C1 -0.9093 1.1699 -1.1120 C.2 1 noname 0.0513 3 C2 -1.0287 1.9915 0.0628 C.2 1 noname 0.0217 4 C3 -0.5531 -0.2055 -1.0770 C.2 1 noname 0.0438 5 C4 -1.4083 3.3986 0.0115 C.2 1 noname -0.0181 6 C5 -0.7653 1.3824 1.3268 C.2 1 noname 0.0023 7 C6 -0.3014 -0.7579 0.2085 C.2 1 noname 0.0379 8 C7 -2.3096 3.8727 -0.9974 C.2 1 noname 0.0231 9 C8 -0.9154 4.3543 0.9724 C.2 1 noname -0.0131 10 C9 -0.3901 0.0209 1.4166 C.2 1 noname 0.0149 11 N1 0.0269 -2.0846 0.2876 N.2 1 noname -0.2400 12 N2 -2.6296 5.2028 -1.0132 N.2 1 noname -0.2215 13 C10 -1.2647 5.7200 0.9682 C.2 1 noname 0.0092 14 C11 -0.1013 -0.6453 2.6333 C.2 1 noname 0.0298 15 C12 0.2875 -2.7590 1.4453 C.2 1 noname 0.0273 16 C13 -2.1320 6.1021 -0.1007 C.2 1 noname 0.0633 17 N3 -0.0535 -0.2371 3.9255 N.3 1 noname -0.1045 18 C14 0.2182 -2.0085 2.6356 C.2 1 noname 0.0322 19 O1 -2.5136 7.3999 -0.2112 O.3 1 noname -0.2416 20 C15 0.2607 -1.3201 4.6729 C.2 1 noname 0.1303 21 C16 -0.2883 1.1306 4.3532 C.3 1 noname 0.0285 22 N4 0.4286 -2.4091 3.8916 N.3 1 noname -0.1059 23 C17 -1.5894 8.0748 -1.0731 C.3 1 noname 0.0563 24 O2 0.3796 -1.3138 5.9172 O.2 1 noname -0.2510 25 C18 1.0023 1.9452 4.5285 C.3 1 noname -0.0099 26 C19 -0.7270 1.4281 5.7953 C.3 1 noname -0.0099 27 C20 0.7604 -3.7114 4.3182 C.3 1 noname 0.0008 28 C21 -1.9947 9.5368 -1.1133 C.3 1 noname -0.0161 29 C22 0.6682 2.0262 6.0228 C.3 1 noname 0.0603 30 C23 -1.0684 10.2894 -2.0808 C.3 1 noname 0.0004 31 O3 1.4999 1.1752 6.8114 O.3 1 noname -0.3812 32 N5 -1.4131 11.7063 -2.1735 N.3 1 noname -0.3031 33 C24 1.1399 1.2973 8.1796 C.3 1 noname 0.0359 34 C25 -0.4590 12.3930 -3.0210 C.3 1 noname -0.0017 35 C26 -2.6767 11.9995 -2.8588 C.3 1 noname -0.0017 36 C27 -1.0815 13.7678 -3.1629 C.3 1 noname -0.0392 37 C28 -2.5904 13.4960 -3.1682 C.3 1 noname -0.0392 38 H1 -0.4771 -0.8033 -1.9853 H 1 noname 0.0676 39 H2 -0.8523 1.9687 2.2415 H 1 noname 0.0637 40 H3 -2.7514 3.2221 -1.7522 H 1 noname 0.0846 41 H4 -0.2328 4.0218 1.7545 H 1 noname 0.0631 42 H5 -0.8980 6.4166 1.7221 H 1 noname 0.0667 43 H6 0.5334 -3.8206 1.4210 H 1 noname 0.0857 44 H7 -1.0144 1.3014 3.5584 H 1 noname 0.0478 45 H8 -0.6147 8.0055 -0.5903 H 1 noname 0.0573 46 H9 -1.7361 7.6540 -2.0678 H 1 noname 0.0573 47 H10 1.8842 1.3284 4.3555 H 1 noname 0.0309 48 H11 0.9190 2.9226 4.0533 H 1 noname 0.0309 49 H12 -1.4957 2.2004 5.8221 H 1 noname 0.0309 50 H13 -0.8587 0.5081 6.3649 H 1 noname 0.0309 51 H14 0.7692 -3.7456 5.4077 H 1 noname 0.0404 52 H15 0.0219 -4.4173 3.9384 H 1 noname 0.0404 53 H16 1.7467 -3.9779 3.9384 H 1 noname 0.0404 54 H17 -2.9976 9.5712 -1.5389 H 1 noname 0.0303 55 H18 -1.8114 9.9391 -0.1170 H 1 noname 0.0303 56 H19 0.8065 2.9492 6.5857 H 1 noname 0.0603 57 H20 -0.0665 10.2639 -1.6523 H 1 noname 0.0431 58 H21 -1.2456 9.8838 -3.0769 H 1 noname 0.0431 59 H22 1.0253 0.3046 8.6151 H 1 noname 0.0529 60 H23 1.9197 1.8404 8.7135 H 1 noname 0.0529 61 H24 0.1983 1.8404 8.2605 H 1 noname 0.0529 62 H25 0.4728 12.4828 -2.4627 H 1 noname 0.0430 63 H26 -0.4666 11.8996 -3.9929 H 1 noname 0.0430 64 H27 -2.6701 11.4494 -3.7998 H 1 noname 0.0430 65 H28 -3.4800 11.8394 -2.1396 H 1 noname 0.0430 66 H29 -0.8431 14.3347 -2.2629 H 1 noname 0.0280 67 H30 -0.8046 14.1582 -4.1422 H 1 noname 0.0280 68 H31 -2.9597 13.6536 -4.1816 H 1 noname 0.0280 69 H32 -3.0358 14.0398 -2.3352 H 1 noname 0.0280 @BOND 1 1 2 1 2 2 3 1 3 2 4 2 4 3 5 1 5 3 6 2 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 7 11 2 11 7 10 1 12 8 12 1 13 9 13 2 14 10 14 2 15 11 15 1 16 12 16 2 17 13 16 1 18 14 17 1 19 14 18 1 20 15 18 2 21 16 19 1 22 17 20 1 23 21 17 1 24 18 22 1 25 19 23 1 26 20 24 2 27 20 22 1 28 21 25 1 29 21 26 1 30 22 27 1 31 23 28 1 32 29 25 1 33 26 29 1 34 28 30 1 35 29 31 1 36 30 32 1 37 31 33 1 38 32 34 1 39 32 35 1 40 34 36 1 41 35 37 1 42 36 37 1 43 4 38 1 44 6 39 1 45 8 40 1 46 9 41 1 47 13 42 1 48 15 43 1 49 21 44 1 50 23 45 1 51 23 46 1 52 25 47 1 53 25 48 1 54 26 49 1 55 26 50 1 56 27 51 1 57 27 52 1 58 27 53 1 59 28 54 1 60 28 55 1 61 29 56 1 62 30 57 1 63 30 58 1 64 33 59 1 65 33 60 1 66 33 61 1 67 34 62 1 68 34 63 1 69 35 64 1 70 35 65 1 71 36 66 1 72 36 67 1 73 37 68 1 74 37 69 1 @SUBSTRUCTURE 1 noname 1