@MOLECULE 56599590 49 52 1 SMALL USER_CHARGES @ATOM 1 F1 6.5717 -4.3059 2.3127 F 1 noname -0.1655 2 N1 2.9783 0.6474 1.6402 N.3 1 noname -0.1031 3 N2 0.8769 1.3566 0.7778 N.2 1 noname -0.2646 4 N3 2.0923 7.4797 -0.3431 N.3 1 noname -0.0238 5 N4 -1.3193 1.8735 0.0409 N.3 1 noname 0.0364 6 N5 3.3094 7.0460 -0.4229 N.2 1 noname -0.2951 7 N6 -2.3632 0.5252 -1.5337 N.2 1 noname -0.2365 8 N7 0.0675 -0.1079 -2.6031 N.2 1 noname -0.2379 9 C1 3.1899 -0.2689 0.5896 C.3 1 noname 0.0351 10 C2 4.0810 -1.3326 1.0436 C.2 1 noname -0.0499 11 C3 2.1605 1.6237 1.2235 C.2 1 noname 0.0257 12 C4 3.8249 0.4558 -0.5989 C.3 1 noname -0.0452 13 C5 1.6466 3.9997 0.7211 C.2 1 noname -0.0249 14 C6 2.5667 2.9863 1.2166 C.2 1 noname -0.0414 15 C7 2.0729 5.3581 0.4066 C.2 1 noname 0.0118 16 C8 3.7155 -2.1336 2.1192 C.2 1 noname -0.0358 17 C9 5.2948 -1.5443 0.4003 C.2 1 noname -0.0358 18 C10 0.2960 3.6366 0.3811 C.2 1 noname -0.0401 19 C11 -0.0859 2.2633 0.3907 C.2 1 noname 0.0275 20 C12 1.3062 6.5146 0.1667 C.2 1 noname -0.0681 21 C13 4.5638 -3.1463 2.5515 C.2 1 noname -0.0059 22 C14 6.1431 -2.5570 0.8326 C.2 1 noname -0.0059 23 C15 3.3580 5.7830 0.0465 C.2 1 noname 0.0289 24 C16 5.7776 -3.3580 1.9082 C.2 1 noname 0.0232 25 C17 1.6582 8.7642 -0.7302 C.3 1 noname -0.0380 26 C18 -1.2447 1.0440 -1.0088 C.2 1 noname 0.0615 27 C19 -0.0071 0.7216 -1.5533 C.2 1 noname 0.0304 28 C20 -2.2886 -0.3044 -2.5834 C.2 1 noname 0.0282 29 C21 -1.0510 -0.6267 -3.1279 C.2 1 noname 0.0040 30 H1 2.2359 -0.6993 0.2852 H 1 noname 0.0517 31 H2 3.8273 1.0304 1.9111 H 1 noname 0.1302 32 H3 3.9885 -0.2525 -1.4111 H 1 noname 0.0250 33 H4 3.1597 1.2499 -0.9379 H 1 noname 0.0250 34 H5 4.7789 0.8862 -0.2945 H 1 noname 0.0250 35 H6 3.4920 3.2506 1.5549 H 1 noname 0.0662 36 H7 2.8247 -1.9782 2.5913 H 1 noname 0.0627 37 H8 5.5630 -0.9565 -0.3890 H 1 noname 0.0627 38 H9 -0.3830 4.3569 0.1351 H 1 noname 0.0662 39 H10 0.3072 6.6065 0.3512 H 1 noname 0.0815 40 H11 4.2956 -3.7341 3.3408 H 1 noname 0.0653 41 H12 7.0339 -2.7123 0.3605 H 1 noname 0.0653 42 H13 4.2050 5.2204 0.1273 H 1 noname 0.0863 43 H14 -1.8484 2.6506 -0.1981 H 1 noname 0.1373 44 H15 1.8647 8.9133 -1.7901 H 1 noname 0.0453 45 H16 0.5866 8.8544 -0.5526 H 1 noname 0.0453 46 H17 2.1878 9.5177 -0.1473 H 1 noname 0.0453 47 H18 0.8443 1.1165 -1.1539 H 1 noname 0.0873 48 H19 -3.1400 -0.6993 -2.9829 H 1 noname 0.0856 49 H20 -0.9942 -1.2581 -3.9269 H 1 noname 0.0855 @BOND 1 1 24 1 2 9 2 1 3 2 11 1 4 2 31 1 5 3 11 1 6 3 19 2 7 4 6 1 8 4 20 1 9 4 25 1 10 5 19 1 11 5 26 1 12 5 43 1 13 6 23 2 14 7 26 2 15 7 28 1 16 8 27 2 17 8 29 1 18 9 10 1 19 9 12 1 20 9 30 1 21 10 16 2 22 10 17 1 23 11 14 2 24 12 32 1 25 12 33 1 26 12 34 1 27 13 14 1 28 13 15 1 29 13 18 2 30 14 35 1 31 15 20 2 32 15 23 1 33 16 21 1 34 16 36 1 35 17 22 2 36 17 37 1 37 18 19 1 38 18 38 1 39 20 39 1 40 21 24 2 41 21 40 1 42 22 24 1 43 22 41 1 44 23 42 1 45 25 44 1 46 25 45 1 47 25 46 1 48 26 27 1 49 27 47 1 50 28 29 2 51 28 48 1 52 29 49 1 @SUBSTRUCTURE 1 noname 1