@MOLECULE 50328592 65 71 1 SMALL USER_CHARGES @ATOM 1 F1 11.2248 -4.5826 3.7919 F 1 noname -0.1660 2 C1 10.1494 -5.4126 3.9773 C.3 1 noname 0.4176 3 F2 10.0340 -5.7206 5.3083 F 1 noname -0.1660 4 F3 10.3312 -6.5642 3.2559 F 1 noname -0.1660 5 C2 8.9337 -4.7421 3.5257 C.2 1 noname -0.0104 6 C3 8.1517 -5.3379 2.4645 C.2 1 noname 0.0054 7 C4 8.5460 -3.5168 4.1408 C.2 1 noname 0.0024 8 N1 8.4185 -6.6736 2.0091 N.3 1 noname -0.1253 9 C5 7.0548 -4.5506 1.9325 C.2 1 noname -0.0477 10 C6 7.3624 -2.8327 3.6714 C.2 1 noname -0.0396 11 C7 9.5606 -7.4867 2.4973 C.3 1 noname 0.0157 12 C8 7.5675 -7.3364 1.0200 C.3 1 noname 0.0157 13 C9 6.6547 -3.3115 2.5123 C.2 1 noname -0.0281 14 N2 6.8859 -1.7120 4.3666 N.3 1 noname -0.1193 15 C10 9.3801 -9.0414 2.5791 C.3 1 noname 0.0084 16 C11 7.0444 -8.7256 1.4596 C.3 1 noname 0.0084 17 C12 5.8082 -1.6796 5.2887 C.2 1 noname 0.0144 18 C13 7.6168 -0.5601 4.0825 C.2 1 noname 0.1011 19 N3 7.9638 -9.4856 2.3635 N.3 1 noname -0.3141 20 C14 4.8891 -2.7568 5.6387 C.2 1 noname 0.0164 21 C15 5.5796 -0.4247 5.9818 C.2 1 noname 0.0111 22 O1 8.5170 -0.6210 3.2174 O.2 1 noname -0.2762 23 C16 7.3849 0.6690 4.7280 C.2 1 noname 0.0509 24 C17 3.9045 -2.5248 6.6762 C.2 1 noname 0.0417 25 C18 4.9007 -4.0496 5.0528 C.2 1 noname -0.0099 26 C19 4.5790 -0.2411 6.9483 C.2 1 noname 0.0095 27 C20 6.3661 0.7188 5.6944 C.2 1 noname 0.0024 28 N4 3.7924 -1.3012 7.2585 N.2 1 noname -0.2437 29 C21 3.0008 -3.5234 7.1533 C.2 1 noname -0.0078 30 C22 4.0772 -5.1104 5.5301 C.2 1 noname -0.0325 31 C23 3.1218 -4.8093 6.5601 C.2 1 noname -0.0266 32 C24 4.3679 -6.4630 5.0866 C.2 1 noname 0.0019 33 C25 5.6618 -7.1240 5.2126 C.2 1 noname -0.0124 34 C26 3.2880 -7.2833 4.6294 C.2 1 noname 0.0053 35 C27 5.7862 -8.5614 4.9910 C.2 1 noname -0.0066 36 C28 6.8493 -6.4424 5.6472 C.2 1 noname -0.0372 37 N5 3.4703 -8.6056 4.3625 N.2 1 noname -0.2527 38 C29 4.6497 -9.2600 4.5432 C.2 1 noname 0.0019 39 C30 6.9762 -9.3048 5.2685 C.2 1 noname -0.0341 40 C31 8.0500 -7.1625 5.9046 C.2 1 noname -0.0521 41 C32 8.1055 -8.5693 5.7373 C.2 1 noname -0.0518 42 H1 9.1443 -3.1099 4.9560 H 1 noname 0.0646 43 H2 6.5076 -4.9055 1.0592 H 1 noname 0.0640 44 H3 10.3384 -7.3127 1.7537 H 1 noname 0.0447 45 H4 9.7010 -7.1456 3.5230 H 1 noname 0.0447 46 H5 6.6972 -6.6869 0.9259 H 1 noname 0.0447 47 H6 8.2194 -7.5018 0.1622 H 1 noname 0.0447 48 H7 5.8294 -2.7451 2.0808 H 1 noname 0.0640 49 H8 9.9416 -9.4676 1.7477 H 1 noname 0.0441 50 H9 9.6168 -9.3323 3.6026 H 1 noname 0.0441 51 H10 6.1516 -8.5409 2.0570 H 1 noname 0.0441 52 H11 6.9789 -9.3282 0.5537 H 1 noname 0.0441 53 H12 7.6231 -10.3111 2.8353 H 1 noname 0.1223 54 H13 7.9749 1.5534 4.4872 H 1 noname 0.0675 55 H14 5.5642 -4.2340 4.2079 H 1 noname 0.0636 56 H15 4.4150 0.7120 7.4511 H 1 noname 0.0846 57 H16 6.1844 1.6529 6.2260 H 1 noname 0.0631 58 H17 2.2607 -3.3160 7.9262 H 1 noname 0.0645 59 H18 2.4543 -5.5970 6.9095 H 1 noname 0.0629 60 H19 2.2849 -6.8843 4.4782 H 1 noname 0.0846 61 H20 6.8391 -5.3610 5.7837 H 1 noname 0.0629 62 H21 4.6836 -10.3289 4.3322 H 1 noname 0.0845 63 H22 7.0205 -10.3849 5.1288 H 1 noname 0.0629 64 H23 8.9408 -6.6284 6.2351 H 1 noname 0.0622 65 H24 9.0314 -9.0939 5.9730 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 8 11 1 11 8 12 1 12 9 13 2 13 10 14 1 14 10 13 1 15 11 15 1 16 12 16 1 17 14 17 1 18 14 18 1 19 15 19 1 20 16 19 1 21 17 20 1 22 17 21 2 23 18 22 2 24 18 23 1 25 20 24 1 26 20 25 2 27 21 26 1 28 21 27 1 29 23 27 2 30 24 28 1 31 24 29 2 32 25 30 1 33 26 28 2 34 29 31 1 35 30 32 1 36 30 31 2 37 32 33 1 38 32 34 2 39 33 35 1 40 33 36 2 41 34 37 1 42 35 38 1 43 35 39 2 44 36 40 1 45 37 38 2 46 39 41 1 47 40 41 2 48 7 42 1 49 9 43 1 50 11 44 1 51 11 45 1 52 12 46 1 53 12 47 1 54 13 48 1 55 15 49 1 56 15 50 1 57 16 51 1 58 16 52 1 59 19 53 1 60 23 54 1 61 25 55 1 62 26 56 1 63 27 57 1 64 29 58 1 65 31 59 1 66 34 60 1 67 36 61 1 68 38 62 1 69 39 63 1 70 40 64 1 71 41 65 1 @SUBSTRUCTURE 1 noname 1