@MOLECULE 56940925 45 48 1 SMALL USER_CHARGES @ATOM 1 F1 4.1589 -4.6150 5.7439 F 1 noname -0.1661 2 F2 2.6810 -3.0246 6.2903 F 1 noname -0.1661 3 F3 2.2495 -4.4178 4.5917 F 1 noname -0.1661 4 N1 5.5824 -1.3568 -0.9567 N.3 1 noname -0.1008 5 N2 6.2976 0.6356 -0.8256 N.2 1 noname -0.2433 6 N3 6.9283 1.9044 1.0200 N.2 1 noname -0.2674 7 C1 5.0182 -3.5832 -2.1444 C.3 1 noname -0.0252 8 C2 6.6594 -4.6796 -1.1737 C.3 1 noname -0.0396 9 C3 6.3968 -4.0868 -2.5556 C.3 1 noname -0.0460 10 C4 5.2885 -2.7293 -0.8524 C.3 1 noname 0.0159 11 C5 6.5218 -3.4525 -0.2449 C.3 1 noname -0.0342 12 C6 4.3566 -4.9496 -1.8038 C.3 1 noname -0.0487 13 C7 5.4753 -5.6618 -1.0015 C.3 1 noname -0.0500 14 C8 5.8976 -0.3879 -0.0297 C.2 1 noname 0.0452 15 C9 5.9031 -0.2714 1.4301 C.2 1 noname -0.0004 16 C10 5.2731 -1.1059 2.4518 C.2 1 noname -0.0342 17 C11 6.5075 0.9400 1.8754 C.2 1 noname 0.0160 18 C12 6.8138 1.7781 -0.3227 C.2 1 noname 0.0478 19 C13 4.1296 -1.8899 2.0690 C.2 1 noname -0.0310 20 C14 5.6579 -1.1663 3.8607 C.2 1 noname -0.0310 21 C15 7.2398 2.8561 -1.2104 C.3 1 noname 0.0656 22 C16 3.4396 -2.7552 2.9714 C.2 1 noname -0.0206 23 C17 4.9565 -1.9790 4.8153 C.2 1 noname -0.0206 24 C18 3.8867 -2.8063 4.3296 C.2 1 noname -0.0036 25 C19 3.2341 -3.7300 5.2530 C.3 1 noname 0.4161 26 H1 4.4902 -3.0769 -2.9576 H 1 noname 0.0319 27 H2 7.6350 -5.1575 -1.0887 H 1 noname 0.0303 28 H3 6.2877 -4.8924 -3.2817 H 1 noname 0.0273 29 H4 7.1136 -3.3220 -2.8546 H 1 noname 0.0273 30 H5 4.3947 -2.7777 -0.2525 H 1 noname 0.0471 31 H6 6.2859 -3.7864 0.7655 H 1 noname 0.0285 32 H7 7.4050 -2.8194 -0.3293 H 1 noname 0.0285 33 H8 4.1636 -5.4995 -2.7249 H 1 noname 0.0270 34 H9 3.4197 -4.8550 -1.2548 H 1 noname 0.0270 35 H10 5.7178 -6.6107 -1.4801 H 1 noname 0.0269 36 H11 5.2493 -5.7828 0.0579 H 1 noname 0.0269 37 H12 6.0751 -1.1930 -1.7760 H 1 noname 0.1299 38 H13 6.6283 1.0876 2.8774 H 1 noname 0.0847 39 H14 3.7958 -1.8248 1.1074 H 1 noname 0.0629 40 H15 6.4530 -0.6114 4.1774 H 1 noname 0.0629 41 H16 8.0228 2.4912 -1.8752 H 1 noname 0.0312 42 H17 6.3902 3.1966 -1.8022 H 1 noname 0.0312 43 H18 7.6246 3.6852 -0.6165 H 1 noname 0.0312 44 H19 2.6509 -3.3204 2.6568 H 1 noname 0.0629 45 H20 5.2091 -1.9692 5.8035 H 1 noname 0.0629 @BOND 1 1 25 1 2 2 25 1 3 3 25 1 4 10 4 1 5 4 14 1 6 4 37 1 7 5 14 2 8 5 18 1 9 6 17 1 10 6 18 2 11 7 9 1 12 7 10 1 13 7 12 1 14 7 26 1 15 8 9 1 16 8 11 1 17 8 13 1 18 8 27 1 19 9 28 1 20 9 29 1 21 10 11 1 22 10 30 1 23 11 31 1 24 11 32 1 25 12 13 1 26 12 33 1 27 12 34 1 28 13 35 1 29 13 36 1 30 14 15 1 31 15 16 1 32 15 17 2 33 16 19 2 34 16 20 1 35 17 38 1 36 18 21 1 37 19 22 1 38 19 39 1 39 20 23 2 40 20 40 1 41 21 41 1 42 21 42 1 43 21 43 1 44 22 24 2 45 22 44 1 46 23 24 1 47 23 45 1 48 24 25 1 @SUBSTRUCTURE 1 noname 1