@MOLECULE 116068 64 67 1 SMALL USER_CHARGES @ATOM 1 F1 3.0049 -1.2659 3.1464 F 1 noname -0.1548 2 C1 1.7699 -0.8611 3.2040 C.2 1 noname 0.0796 3 C2 1.2794 -0.1314 4.3294 C.2 1 noname 0.0913 4 C3 0.8541 -1.1277 2.1483 C.2 1 noname 0.0265 5 C4 -0.0679 0.3168 4.4706 C.2 1 noname 0.0796 6 C5 2.2145 0.3022 5.3825 C.2 1 noname 0.0481 7 C6 -0.5115 -0.6842 2.2271 C.2 1 noname 0.0121 8 F2 -0.4617 0.9507 5.5363 F 1 noname -0.1548 9 C7 -0.9617 0.0433 3.4019 C.2 1 noname 0.0265 10 O1 2.3553 -0.3572 6.4350 O.2 1 noname -0.2877 11 N1 2.9873 1.5566 5.1471 N.3 1 noname -0.0604 12 C8 -1.4528 -0.9561 1.1589 C.2 1 noname 0.0478 13 C9 3.5963 1.9949 6.4355 C.3 1 noname 0.0189 14 C10 2.3854 2.6326 4.2626 C.3 1 noname 0.0189 15 N2 -2.4806 -0.0457 1.0555 N.2 1 noname -0.2213 16 C11 -1.4301 -2.0742 0.2453 C.2 1 noname 0.0415 17 C12 2.7141 3.0114 7.2330 C.3 1 noname 0.0118 18 C13 1.9341 3.9410 4.9720 C.3 1 noname 0.0118 19 C14 -3.5117 -0.1395 0.1686 C.2 1 noname 0.0456 20 C15 -0.5438 -3.0565 0.1551 C.1 1 noname -0.0099 21 C16 -2.5077 -2.1523 -0.6582 C.2 1 noname 0.0371 22 N3 1.6727 3.7209 6.4201 N.3 1 noname -0.2951 23 N4 -3.4946 -1.2136 -0.6713 N.2 1 noname -0.2300 24 C17 0.2460 -3.9622 0.0420 C.1 1 noname -0.0268 25 C18 -2.5683 -3.2645 -1.6021 C.3 1 noname 0.0467 26 C19 1.3439 4.9960 7.0552 C.3 1 noname 0.0595 27 C20 1.1278 -4.9534 -0.0688 C.2 1 noname -0.0250 28 C21 -3.8537 -4.0612 -1.3696 C.3 1 noname -0.0597 29 C22 0.8042 4.7399 8.4638 C.3 1 noname 0.2507 30 C23 2.3470 -4.9130 0.6780 C.2 1 noname 0.0133 31 C24 0.8837 -6.0778 -0.9267 C.2 1 noname -0.0239 32 F3 0.4958 5.9357 9.0594 F 1 noname -0.2089 33 F4 -0.3230 3.9634 8.3872 F 1 noname -0.2089 34 N5 3.2258 -5.9687 0.5276 N.2 1 noname -0.2618 35 C25 1.8058 -7.1567 -1.0662 C.2 1 noname -0.0301 36 C26 2.9980 -7.0540 -0.2960 C.2 1 noname 0.0185 37 N6 3.9159 -8.0273 -0.3710 N.3 1 noname -0.1129 38 C27 5.1347 -7.4894 -0.8329 C.3 1 noname -0.0101 39 H1 1.2013 -1.6759 1.2725 H 1 noname 0.0660 40 H2 -1.9915 0.3913 3.4831 H 1 noname 0.0660 41 H3 3.6578 1.0898 7.0398 H 1 noname 0.0449 42 H4 4.5062 2.5232 6.1511 H 1 noname 0.0449 43 H5 3.1928 2.9235 3.5907 H 1 noname 0.0449 44 H6 1.4764 2.1852 3.8605 H 1 noname 0.0449 45 H7 2.1487 2.4259 7.9580 H 1 noname 0.0444 46 H8 3.3849 3.8002 7.5737 H 1 noname 0.0444 47 H9 2.7742 4.6342 4.9302 H 1 noname 0.0444 48 H10 0.9728 4.2231 4.5426 H 1 noname 0.0444 49 H11 -4.3074 0.6045 0.1328 H 1 noname 0.1061 50 H12 -2.6348 -2.8140 -2.5924 H 1 noname 0.0329 51 H13 -1.7289 -3.9141 -1.3541 H 1 noname 0.0329 52 H14 2.2871 5.5327 7.1570 H 1 noname 0.0489 53 H15 0.5336 5.4249 6.4657 H 1 noname 0.0489 54 H16 -4.0262 -4.1681 -0.2987 H 1 noname 0.0234 55 H17 -4.6941 -3.5351 -1.8223 H 1 noname 0.0234 56 H18 -3.7564 -5.0480 -1.8223 H 1 noname 0.0234 57 H19 1.4863 4.2259 9.1410 H 1 noname 0.1049 58 H20 2.6016 -4.0929 1.3493 H 1 noname 0.0853 59 H21 -0.0438 -6.1141 -1.4981 H 1 noname 0.0637 60 H22 1.6116 -8.0065 -1.7205 H 1 noname 0.0656 61 H23 3.7247 -8.9880 -0.1250 H 1 noname 0.1292 62 H24 5.7568 -7.2149 0.0190 H 1 noname 0.0396 63 H25 5.6541 -8.2330 -1.4374 H 1 noname 0.0396 64 H26 4.9354 -6.6046 -1.4374 H 1 noname 0.0396 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 22 26 1 29 24 27 1 30 25 28 1 31 26 29 1 32 27 30 2 33 27 31 1 34 29 32 1 35 29 33 1 36 30 34 1 37 31 35 2 38 34 36 2 39 35 36 1 40 36 37 1 41 37 38 1 42 4 39 1 43 9 40 1 44 13 41 1 45 13 42 1 46 14 43 1 47 14 44 1 48 17 45 1 49 17 46 1 50 18 47 1 51 18 48 1 52 19 49 1 53 25 50 1 54 25 51 1 55 26 52 1 56 26 53 1 57 28 54 1 58 28 55 1 59 28 56 1 60 29 57 1 61 30 58 1 62 31 59 1 63 35 60 1 64 37 61 1 65 38 62 1 66 38 63 1 67 38 64 1 @SUBSTRUCTURE 1 noname 1