@MOLECULE 66577015 50 53 1 SMALL USER_CHARGES @ATOM 1 F1 2.3734 1.7904 -6.9262 F 1 noname -0.1661 2 F2 3.1424 3.0697 -5.2575 F 1 noname -0.1661 3 F3 1.7607 1.3644 -4.8154 F 1 noname -0.1661 4 O1 -1.9308 -1.3016 0.7616 O.3 1 noname -0.3786 5 O2 1.5284 -3.8610 -2.5047 O.3 1 noname -0.3786 6 N1 -1.8930 0.5413 -1.1406 N.3 1 noname -0.0923 7 N2 1.2690 -1.4756 -3.8201 N.3 1 noname -0.0564 8 N3 -0.3430 -0.3679 -2.5979 N.2 1 noname -0.2503 9 N4 0.4550 0.6912 -4.4882 N.2 1 noname -0.2617 10 N5 -1.2484 4.9054 -6.1436 N.2 1 noname -0.2592 11 N6 -0.0789 6.2255 -7.6653 N.3 1 noname -0.1175 12 C1 -3.0388 -0.3210 -1.3056 C.3 1 noname 0.0281 13 C2 -1.4269 1.0464 0.1364 C.3 1 noname 0.0281 14 C3 0.8931 -2.5999 -4.6386 C.3 1 noname 0.0296 15 C4 2.4230 -1.5021 -2.9674 C.3 1 noname 0.0296 16 C5 -1.1139 0.6795 -2.2294 C.2 1 noname 0.0397 17 C6 -1.7470 0.0439 1.2883 C.3 1 noname 0.0599 18 C7 -2.9662 -1.4745 -0.2583 C.3 1 noname 0.0599 19 C8 0.4634 -0.4127 -3.6852 C.2 1 noname 0.0840 20 C9 1.1193 -3.9602 -3.9036 C.3 1 noname 0.0600 21 C10 2.3349 -2.7342 -2.0245 C.3 1 noname 0.0600 22 C11 -1.0979 1.8464 -3.0186 C.2 1 noname -0.0275 23 C12 -0.2966 1.8183 -4.2063 C.2 1 noname 0.0260 24 C13 -0.2543 2.9508 -5.1029 C.2 1 noname 0.0008 25 C14 0.9191 3.2432 -5.8678 C.2 1 noname 0.0289 26 C15 -1.3752 3.8371 -5.2815 C.2 1 noname 0.0258 27 C16 1.0485 4.3341 -6.7638 C.2 1 noname 0.0038 28 C17 2.0664 2.3534 -5.7144 C.3 1 noname 0.4169 29 C18 -0.1087 5.1596 -6.8538 C.2 1 noname 0.0381 30 H1 -1.9045 2.0038 0.3447 H 1 noname 0.0459 31 H2 -0.3576 1.2344 0.0391 H 1 noname 0.0459 32 H3 -3.9516 0.2540 -1.1501 H 1 noname 0.0459 33 H4 -3.1247 -0.6795 -2.3313 H 1 noname 0.0459 34 H5 -0.1559 -2.5093 -4.9207 H 1 noname 0.0459 35 H6 1.4693 -2.6031 -5.5638 H 1 noname 0.0459 36 H7 2.4554 -0.5900 -2.3714 H 1 noname 0.0459 37 H8 3.3000 -1.6650 -3.5939 H 1 noname 0.0459 38 H9 -2.6544 0.3597 1.8031 H 1 noname 0.0580 39 H10 -0.9450 0.0646 2.0262 H 1 noname 0.0580 40 H11 -3.9367 -1.5882 0.2248 H 1 noname 0.0580 41 H12 -2.7353 -2.4098 -0.7682 H 1 noname 0.0580 42 H13 0.2166 -4.5668 -3.9760 H 1 noname 0.0580 43 H14 1.9526 -4.4371 -4.4196 H 1 noname 0.0580 44 H15 1.9717 -2.4181 -1.0466 H 1 noname 0.0580 45 H16 3.3622 -3.0740 -1.8933 H 1 noname 0.0580 46 H17 -1.6329 2.6743 -2.7563 H 1 noname 0.0679 47 H18 -2.2481 3.6772 -4.7786 H 1 noname 0.0847 48 H19 1.8984 4.5128 -7.2987 H 1 noname 0.0662 49 H20 -0.9305 6.6880 -7.6230 H 1 noname 0.1257 50 H21 0.0860 5.9342 -8.5757 H 1 noname 0.1257 @BOND 1 1 28 1 2 2 28 1 3 3 28 1 4 4 17 1 5 4 18 1 6 5 20 1 7 5 21 1 8 6 12 1 9 6 13 1 10 6 16 1 11 7 14 1 12 7 15 1 13 7 19 1 14 8 16 2 15 8 19 1 16 9 19 2 17 9 23 1 18 10 26 1 19 10 29 2 20 11 29 1 21 11 49 1 22 11 50 1 23 12 18 1 24 12 32 1 25 12 33 1 26 13 17 1 27 13 30 1 28 13 31 1 29 14 20 1 30 14 34 1 31 14 35 1 32 15 21 1 33 15 36 1 34 15 37 1 35 16 22 1 36 17 38 1 37 17 39 1 38 18 40 1 39 18 41 1 40 20 42 1 41 20 43 1 42 21 44 1 43 21 45 1 44 22 23 2 45 22 46 1 46 23 24 1 47 24 25 1 48 24 26 2 49 25 27 2 50 25 28 1 51 26 47 1 52 27 29 1 53 27 48 1 @SUBSTRUCTURE 1 noname 1