@MOLECULE DB01261 43 45 1 SMALL USER_CHARGES @ATOM 1 F1 -7.7120 -2.0806 -5.1617 F 1 noname -0.1491 2 C1 -6.4232 -2.1430 -4.9954 C.2 1 noname 0.0861 3 C2 -5.5756 -1.4890 -5.8819 C.2 1 noname 0.0669 4 C3 -5.8939 -2.8636 -3.9311 C.2 1 noname 0.0585 5 F2 -6.0711 -0.8145 -6.8780 F 1 noname -0.1524 6 C4 -4.1986 -1.5556 -5.7043 C.2 1 noname 0.0275 7 C5 -4.5169 -2.9302 -3.7535 C.2 1 noname 0.0387 8 C6 -3.6693 -2.2762 -4.6400 C.2 1 noname 0.0106 9 F3 -4.0214 -3.6047 -2.7574 F 1 noname -0.1632 10 C7 -2.2229 -2.3462 -4.4534 C.3 1 noname -0.0091 11 C8 -1.9084 -3.1943 -3.2194 C.3 1 noname 0.0164 12 N1 -2.4415 -4.5428 -3.4060 N.3 1 noname -0.3269 13 C9 -0.3927 -3.2676 -3.0238 C.3 1 noname 0.0369 14 C10 -0.0926 -4.0768 -1.8462 C.2 1 noname 0.0452 15 O1 -1.0228 -4.5804 -1.1802 O.2 1 noname -0.2943 16 N2 1.1802 -4.2798 -1.4794 N.3 1 noname -0.0634 17 C11 2.3059 -4.3140 -2.4734 C.3 1 noname 0.0641 18 C12 1.5763 -4.4874 -0.0544 C.3 1 noname 0.0225 19 C13 3.3593 -3.3777 -2.0193 C.2 1 noname 0.0236 20 C14 2.7740 -3.5796 0.3950 C.3 1 noname 0.0327 21 N3 4.2509 -2.7004 -2.7416 N.2 1 noname -0.1477 22 N4 3.5226 -3.0578 -0.7220 N.3 1 noname 0.0329 23 N5 4.9288 -1.9422 -1.9452 N.2 1 noname -0.1273 24 C15 4.4911 -2.1312 -0.6816 C.2 1 noname 0.0597 25 C16 4.9832 -1.4499 0.5122 C.3 1 noname 0.4492 26 F4 4.7919 -0.0988 0.3790 F 1 noname -0.1633 27 F5 6.3205 -1.7089 0.6678 F 1 noname -0.1633 28 F6 4.2993 -1.9020 1.6111 F 1 noname -0.1633 29 H1 -6.5585 -3.3764 -3.2359 H 1 noname 0.0685 30 H2 -3.5340 -1.0428 -6.3995 H 1 noname 0.0658 31 H3 -1.8336 -2.8744 -5.3238 H 1 noname 0.0333 32 H4 -1.8980 -1.3271 -4.2440 H 1 noname 0.0333 33 H5 -2.3910 -2.7797 -2.3343 H 1 noname 0.0470 34 H6 -3.4391 -4.6870 -3.4704 H 1 noname 0.1187 35 H7 -1.8122 -5.3301 -3.4704 H 1 noname 0.1187 36 H8 0.0231 -3.8091 -3.8735 H 1 noname 0.0377 37 H9 -0.0414 -2.2618 -2.7938 H 1 noname 0.0377 38 H10 2.7379 -5.3142 -2.4382 H 1 noname 0.0517 39 H11 1.9192 -3.9202 -3.4134 H 1 noname 0.0517 40 H12 0.7086 -4.1776 0.5280 H 1 noname 0.0452 41 H13 1.9254 -5.5189 -0.0056 H 1 noname 0.0452 42 H14 2.3560 -2.6975 0.8801 H 1 noname 0.0487 43 H15 3.4842 -4.2104 0.9295 H 1 noname 0.0487 @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 6 8 2 8 7 9 1 9 7 8 1 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 16 17 1 18 16 18 1 19 17 19 1 20 18 20 1 21 19 21 2 22 19 22 1 23 20 22 1 24 21 23 1 25 22 24 1 26 23 24 2 27 24 25 1 28 25 26 1 29 25 27 1 30 25 28 1 31 4 29 1 32 6 30 1 33 10 31 1 34 10 32 1 35 11 33 1 36 12 34 1 37 12 35 1 38 13 36 1 39 13 37 1 40 17 38 1 41 17 39 1 42 18 40 1 43 18 41 1 44 20 42 1 45 20 43 1 @SUBSTRUCTURE 1 noname 1