@MOLECULE 67323320 61 65 1 SMALL USER_CHARGES @ATOM 1 F1 -11.7667 -10.6610 5.2215 F 1 noname -0.1661 2 F2 -13.7571 -9.7169 4.8226 F 1 noname -0.1661 3 F3 -12.0446 -8.4613 5.5320 F 1 noname -0.1661 4 O1 -11.2710 -6.6249 -0.9171 O.2 1 noname -0.2776 5 N1 -12.1003 -10.9984 -0.1110 N.3 1 noname -0.0452 6 N2 -10.4802 -6.6515 1.2875 N.3 1 noname -0.1379 7 N3 -9.6460 -2.6305 -3.0663 N.3 1 noname 0.0310 8 N4 -12.1689 -11.9859 -2.1310 N.2 1 noname -0.2358 9 N5 -8.6653 -2.6628 -5.2100 N.2 1 noname -0.2179 10 N6 -7.7072 -3.9548 -3.5224 N.2 1 noname -0.2311 11 N7 -7.2416 -2.9867 -9.7359 N.2 1 noname -0.2467 12 C1 -11.8704 -10.0876 0.9545 C.2 1 noname -0.0070 13 C2 -10.9804 -7.8528 1.6307 C.2 1 noname -0.0131 14 C3 -12.0058 -9.2911 3.3743 C.2 1 noname -0.0032 15 C4 -11.2061 -8.8664 0.6550 C.2 1 noname -0.0290 16 C5 -12.2548 -10.2526 2.3409 C.2 1 noname -0.0227 17 C6 -11.3566 -8.0866 2.9860 C.2 1 noname -0.0276 18 C7 -9.9390 -4.8255 -0.2049 C.2 1 noname -0.0211 19 C8 -9.6099 -3.0308 -1.7811 C.2 1 noname -0.0207 20 C9 -8.7765 -2.3549 -0.8331 C.2 1 noname -0.0302 21 C10 -10.2334 -4.2656 -1.4678 C.2 1 noname -0.0087 22 C11 -10.6113 -6.0751 -0.0087 C.2 1 noname 0.0833 23 C12 -12.6834 -12.2107 -0.0067 C.2 1 noname -0.0892 24 C13 -9.0591 -4.1901 0.7298 C.2 1 noname -0.0327 25 C14 -12.3995 -9.5363 4.7587 C.3 1 noname 0.4162 26 C15 -8.4808 -2.9281 0.4342 C.2 1 noname -0.0516 27 C16 -11.8023 -10.8940 -1.4435 C.2 1 noname -0.0408 28 C17 -12.7233 -12.8258 -1.2530 C.2 1 noname 0.0106 29 C18 -8.2187 -1.0496 -1.1747 C.3 1 noname 0.0055 30 C19 -13.2706 -14.1469 -1.5476 C.3 1 noname 0.0381 31 C20 -8.6876 -3.0790 -3.9192 C.2 1 noname 0.0896 32 C21 -7.6957 -3.1016 -6.0643 C.2 1 noname 0.0302 33 C22 -7.7110 -2.6506 -7.3978 C.2 1 noname 0.0043 34 C23 -6.6843 -3.9968 -5.6368 C.2 1 noname -0.0140 35 C24 -6.7234 -4.4270 -4.3143 C.2 1 noname 0.0135 36 C25 -8.2369 -1.3404 -7.7063 C.2 1 noname -0.0159 37 C26 -7.2135 -3.4792 -8.4622 C.2 1 noname 0.0221 38 C27 -8.2615 -0.8567 -9.0495 C.2 1 noname -0.0188 39 C28 -7.7404 -1.7377 -10.0424 C.2 1 noname 0.0040 40 H1 -10.8776 -8.7095 -0.2979 H 1 noname 0.0659 41 H2 -12.7365 -11.1135 2.6002 H 1 noname 0.0648 42 H3 -11.1564 -7.3766 3.6904 H 1 noname 0.0645 43 H4 -10.0013 -6.1474 1.9638 H 1 noname 0.1374 44 H5 -10.8642 -4.7271 -2.1230 H 1 noname 0.0647 45 H6 -13.0417 -12.6157 0.8581 H 1 noname 0.0815 46 H7 -8.8463 -4.6486 1.6157 H 1 noname 0.0630 47 H8 -7.8771 -2.4513 1.1040 H 1 noname 0.0626 48 H9 -11.3538 -10.0804 -1.8644 H 1 noname 0.1019 49 H10 -10.5224 -2.8160 -3.4382 H 1 noname 0.1373 50 H11 -8.5640 -0.3073 -0.4552 H 1 noname 0.0280 51 H12 -8.5454 -0.7655 -2.1751 H 1 noname 0.0280 52 H13 -7.1303 -1.1017 -1.1491 H 1 noname 0.0280 53 H14 -14.0807 -14.0515 -2.2706 H 1 noname 0.0296 54 H15 -13.6531 -14.5945 -0.6303 H 1 noname 0.0296 55 H16 -12.4866 -14.7808 -1.9618 H 1 noname 0.0296 56 H17 -5.9545 -4.3141 -6.2749 H 1 noname 0.0661 57 H18 -6.0281 -5.0807 -3.9542 H 1 noname 0.0841 58 H19 -8.5957 -0.7527 -6.9537 H 1 noname 0.0630 59 H20 -6.8485 -4.4122 -8.2708 H 1 noname 0.0846 60 H21 -8.6301 0.0647 -9.2850 H 1 noname 0.0638 61 H22 -7.7363 -1.4328 -11.0158 H 1 noname 0.0839 @BOND 1 1 25 1 2 2 25 1 3 3 25 1 4 4 22 2 5 5 12 1 6 5 23 1 7 5 27 1 8 6 13 1 9 6 22 1 10 6 43 1 11 7 19 1 12 7 31 1 13 7 49 1 14 8 27 2 15 8 28 1 16 9 31 1 17 9 32 2 18 10 31 2 19 10 35 1 20 11 37 1 21 11 39 2 22 12 15 1 23 12 16 2 24 13 15 2 25 13 17 1 26 14 16 1 27 14 17 2 28 14 25 1 29 15 40 1 30 16 41 1 31 17 42 1 32 18 21 2 33 18 22 1 34 18 24 1 35 19 20 2 36 19 21 1 37 20 26 1 38 20 29 1 39 21 44 1 40 23 28 2 41 23 45 1 42 24 26 2 43 24 46 1 44 26 47 1 45 27 48 1 46 28 30 1 47 29 50 1 48 29 51 1 49 29 52 1 50 30 53 1 51 30 54 1 52 30 55 1 53 32 33 1 54 32 34 1 55 33 36 1 56 33 37 2 57 34 35 2 58 34 56 1 59 35 57 1 60 36 38 2 61 36 58 1 62 37 59 1 63 38 39 1 64 38 60 1 65 39 61 1 @SUBSTRUCTURE 1 noname 1