@MOLECULE DB07316 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 -2.7482 -1.6272 -2.1523 F 1 noname -0.1675 2 C1 -2.1282 -0.6493 -1.4181 C.3 1 noname 0.4208 3 F2 -1.1720 -0.0376 -2.1869 F 1 noname -0.1675 4 F3 -3.0549 0.2783 -1.0176 F 1 noname -0.1675 5 C2 -1.4692 -1.2760 -0.1876 C.3 1 noname 0.1824 6 O1 -0.5094 -2.2367 -0.6024 O.3 1 noname -0.3764 7 C3 -2.4875 -1.9274 0.6311 C.2 1 noname -0.0206 8 C4 -0.7774 -0.1847 0.6318 C.3 1 noname -0.0227 9 C5 -2.7960 -3.3089 0.3788 C.2 1 noname -0.0301 10 C6 -3.1385 -1.1654 1.6525 C.2 1 noname -0.0301 11 C7 -3.8105 -3.9376 1.1568 C.2 1 noname -0.0130 12 C8 -4.1563 -1.7980 2.4333 C.2 1 noname -0.0130 13 C9 -4.4942 -3.1522 2.1564 C.2 1 noname -0.0099 14 C10 -5.6355 -3.6141 2.9353 C.2 1 noname 0.0160 15 O2 -5.9748 -3.0819 4.0142 O.2 1 noname -0.2946 16 N1 -6.3567 -4.7548 2.3533 N.3 1 noname -0.0635 17 C11 -7.2792 -5.3442 3.3542 C.3 1 noname 0.0201 18 C12 -6.1950 -5.2219 1.0328 C.3 1 noname 0.0178 19 C13 -8.2777 -6.2375 2.5408 C.3 1 noname -0.0241 20 C14 -6.5418 -6.0607 4.5527 C.3 1 noname -0.0241 21 C15 -7.1838 -4.5029 0.1128 C.3 1 noname -0.0355 22 C16 -5.7152 -4.0748 0.1412 C.3 1 noname -0.0355 23 C17 -8.5693 -7.6624 3.0858 C.3 1 noname -0.0003 24 C18 -6.2403 -7.5561 4.2941 C.3 1 noname -0.0003 25 N2 -7.4511 -8.3219 3.8476 N.3 1 noname -0.3021 26 C19 -7.0300 -9.5326 3.1445 C.3 1 noname 0.0122 27 C20 -8.2125 -10.4975 3.0374 C.3 1 noname 0.0564 28 C21 -9.5699 -10.0801 2.6985 C.2 1 noname 0.0362 29 C22 -7.7719 -11.7645 2.3015 C.3 1 noname -0.0370 30 C23 -7.9040 -11.7718 3.8258 C.3 1 noname -0.0370 31 O3 -10.5058 -10.2860 3.5012 O.2 1 noname -0.2959 32 N3 -9.8125 -9.4762 1.5272 N.3 1 noname -0.0885 33 H1 -0.1062 -2.6403 0.1698 H 1 noname 0.2117 34 H2 -0.9078 -0.3904 1.6942 H 1 noname 0.0266 35 H3 0.2859 -0.1697 0.3924 H 1 noname 0.0266 36 H4 -1.2173 0.7834 0.3924 H 1 noname 0.0266 37 H5 -2.2683 -3.8716 -0.3914 H 1 noname 0.0626 38 H6 -2.8651 -0.1257 1.8319 H 1 noname 0.0626 39 H7 -4.0559 -4.9868 0.9925 H 1 noname 0.0630 40 H8 -4.6675 -1.2555 3.2287 H 1 noname 0.0630 41 H9 -7.8082 -4.5282 3.8467 H 1 noname 0.0473 42 H10 -5.8999 -6.2486 1.2489 H 1 noname 0.0472 43 H11 -9.2344 -5.7175 2.5917 H 1 noname 0.0296 44 H12 -7.7965 -6.4000 1.5763 H 1 noname 0.0296 45 H13 -5.5680 -5.5793 4.6431 H 1 noname 0.0296 46 H14 -7.2374 -6.0453 5.3917 H 1 noname 0.0296 47 H15 -7.4962 -5.0591 -0.7710 H 1 noname 0.0283 48 H16 -7.8821 -3.8271 0.6065 H 1 noname 0.0283 49 H17 -5.5074 -3.1348 0.6525 H 1 noname 0.0283 50 H18 -5.1215 -4.3668 -0.7250 H 1 noname 0.0283 51 H19 -9.3704 -7.5463 3.8157 H 1 noname 0.0431 52 H20 -8.7173 -8.2941 2.2099 H 1 noname 0.0431 53 H21 -5.5455 -7.5942 3.4552 H 1 noname 0.0431 54 H22 -5.9595 -7.9887 5.2544 H 1 noname 0.0431 55 H23 -6.7699 -9.2177 2.1339 H 1 noname 0.0441 56 H24 -6.2787 -10.0024 3.7793 H 1 noname 0.0441 57 H25 -8.5558 -12.2910 1.7573 H 1 noname 0.0278 58 H26 -6.7523 -11.7560 1.9162 H 1 noname 0.0278 59 H27 -6.9659 -11.7680 4.3809 H 1 noname 0.0278 60 H28 -8.7695 -12.3029 4.2220 H 1 noname 0.0278 61 H29 -10.7605 -9.2487 1.2631 H 1 noname 0.1271 62 H30 -9.0474 -9.2487 0.9083 H 1 noname 0.1271 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 7 9 2 9 7 10 1 10 9 11 1 11 10 12 2 12 11 13 2 13 12 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 16 17 1 18 16 18 1 19 17 19 1 20 17 20 1 21 18 21 1 22 18 22 1 23 19 23 1 24 20 24 1 25 21 22 1 26 23 25 1 27 24 25 1 28 25 26 1 29 26 27 1 30 27 28 1 31 27 29 1 32 27 30 1 33 28 31 2 34 28 32 1 35 29 30 1 36 6 33 1 37 8 34 1 38 8 35 1 39 8 36 1 40 9 37 1 41 10 38 1 42 11 39 1 43 12 40 1 44 17 41 1 45 18 42 1 46 19 43 1 47 19 44 1 48 20 45 1 49 20 46 1 50 21 47 1 51 21 48 1 52 22 49 1 53 22 50 1 54 23 51 1 55 23 52 1 56 24 53 1 57 24 54 1 58 26 55 1 59 26 56 1 60 29 57 1 61 29 58 1 62 30 59 1 63 30 60 1 64 32 61 1 65 32 62 1 @SUBSTRUCTURE 1 noname 1