@MOLECULE DB07135 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 -1.5226 -10.1346 2.5340 F 1 noname -0.2458 2 C1 -0.5961 -10.0470 1.5273 C.3 1 noname 0.1145 3 C2 -1.3168 -10.0288 0.1665 C.3 1 noname 0.0373 4 C3 0.2800 -11.2921 1.5341 C.3 1 noname -0.0071 5 N1 -0.4326 -10.7166 -0.7833 N.3 1 noname -0.0623 6 C4 0.2880 -11.7067 0.0706 C.3 1 noname 0.0087 7 C5 0.3706 -9.6476 -1.4272 C.2 1 noname 0.0517 8 O1 0.0065 -8.4527 -1.3807 O.2 1 noname -0.2890 9 C6 1.6634 -10.0532 -2.1529 C.3 1 noname 0.0905 10 N2 1.2167 -11.2175 -2.9373 N.3 1 noname -0.3197 11 C7 2.3103 -8.8660 -2.9486 C.3 1 noname 0.0593 12 C8 2.6665 -7.6731 -1.9805 C.2 1 noname 0.0428 13 C9 3.5258 -9.3004 -3.8439 C.3 1 noname -0.0282 14 O2 2.1496 -6.5488 -2.1575 O.2 1 noname -0.2940 15 N3 3.5231 -7.8648 -0.9681 N.3 1 noname -0.0729 16 C10 3.1783 -10.4943 -4.8265 C.3 1 noname -0.0490 17 C11 4.2168 -8.0731 -4.5523 C.3 1 noname -0.0490 18 C12 3.8416 -6.7983 -0.1025 C.3 1 noname -0.0061 19 C13 4.1061 -9.1330 -0.7684 C.3 1 noname -0.0061 20 C14 3.9605 -10.5733 -6.1464 C.3 1 noname -0.0448 21 C15 3.8101 -7.8934 -6.0345 C.3 1 noname -0.0448 22 C16 4.2147 -9.1874 -6.8258 C.3 1 noname 0.0370 23 C17 5.5942 -9.1966 -7.3727 C.2 1 noname -0.0489 24 N4 5.8121 -9.8355 -8.5779 N.3 1 noname -0.0558 25 C18 6.7202 -8.5661 -6.7418 C.2 1 noname -0.0384 26 N5 4.9846 -10.5172 -9.3058 N.2 1 noname -0.2785 27 C19 7.0139 -9.8289 -9.2126 C.2 1 noname 0.0358 28 C20 7.9804 -8.5494 -7.3930 C.2 1 noname -0.0051 29 C21 5.6337 -10.9422 -10.4032 C.2 1 noname 0.0756 30 N6 6.9077 -10.5089 -10.3540 N.2 1 noname -0.1902 31 C22 8.1393 -9.1739 -8.6548 C.2 1 noname 0.0051 32 H1 -0.0583 -9.1303 1.7695 H 1 noname 0.0674 33 H2 -2.2175 -10.6369 0.2509 H 1 noname 0.0465 34 H3 -1.3876 -8.9934 -0.1667 H 1 noname 0.0465 35 H4 1.2921 -10.9946 1.8085 H 1 noname 0.0310 36 H5 -0.2338 -12.0665 2.1038 H 1 noname 0.0310 37 H6 1.3279 -11.6838 -0.2553 H 1 noname 0.0436 38 H7 -0.2836 -12.6324 0.0047 H 1 noname 0.0436 39 H8 2.4837 -10.3751 -1.5113 H 1 noname 0.0568 40 H9 0.2469 -11.3032 -3.2062 H 1 noname 0.1191 41 H10 1.8802 -11.9299 -3.2062 H 1 noname 0.1191 42 H11 1.5576 -8.5170 -3.6555 H 1 noname 0.0421 43 H12 4.2742 -9.7021 -3.1608 H 1 noname 0.0311 44 H13 3.4529 -11.4046 -4.2935 H 1 noname 0.0270 45 H14 2.1448 -10.3329 -5.1329 H 1 noname 0.0270 46 H15 3.8519 -7.1824 -4.0408 H 1 noname 0.0270 47 H16 5.2842 -8.2934 -4.5686 H 1 noname 0.0270 48 H17 3.7432 -7.1280 0.9318 H 1 noname 0.0399 49 H18 4.8667 -6.4759 -0.2851 H 1 noname 0.0399 50 H19 3.1611 -5.9666 -0.2851 H 1 noname 0.0399 51 H20 4.1956 -9.3276 0.3004 H 1 noname 0.0399 52 H21 3.4781 -9.8977 -1.2256 H 1 noname 0.0399 53 H22 5.0954 -9.1542 -1.2256 H 1 noname 0.0399 54 H23 4.9424 -10.9630 -5.8781 H 1 noname 0.0273 55 H24 3.3204 -11.1318 -6.8293 H 1 noname 0.0273 56 H25 2.7221 -7.8296 -6.0556 H 1 noname 0.0273 57 H26 4.4117 -7.0739 -6.4276 H 1 noname 0.0273 58 H27 3.5467 -9.0938 -7.6819 H 1 noname 0.0366 59 H28 6.6177 -8.0976 -5.7630 H 1 noname 0.0639 60 H29 8.8299 -8.0548 -6.9220 H 1 noname 0.0624 61 H30 5.1978 -11.5408 -11.2030 H 1 noname 0.1079 62 H31 9.0949 -9.1512 -9.1787 H 1 noname 0.0659 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 5 6 1 8 7 8 2 9 7 9 1 10 9 10 1 11 9 11 1 12 11 12 1 13 11 13 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 17 1 18 15 18 1 19 15 19 1 20 16 20 1 21 17 21 1 22 20 22 1 23 21 22 1 24 22 23 1 25 23 24 1 26 23 25 2 27 24 26 1 28 24 27 1 29 25 28 1 30 26 29 2 31 27 30 2 32 27 31 1 33 28 31 2 34 29 30 1 35 2 32 1 36 3 33 1 37 3 34 1 38 4 35 1 39 4 36 1 40 6 37 1 41 6 38 1 42 9 39 1 43 10 40 1 44 10 41 1 45 11 42 1 46 13 43 1 47 16 44 1 48 16 45 1 49 17 46 1 50 17 47 1 51 18 48 1 52 18 49 1 53 18 50 1 54 19 51 1 55 19 52 1 56 19 53 1 57 20 54 1 58 20 55 1 59 21 56 1 60 21 57 1 61 22 58 1 62 25 59 1 63 28 60 1 64 29 61 1 65 31 62 1 @SUBSTRUCTURE 1 noname 1