@MOLECULE DB06925 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 11.8366 5.1736 -2.8751 F 1 noname -0.1661 2 C1 10.8324 6.0878 -2.6863 C.3 1 noname 0.4161 3 F2 9.9849 6.0647 -3.7637 F 1 noname -0.1661 4 F3 11.3735 7.3409 -2.5572 F 1 noname -0.1661 5 C2 10.0894 5.7514 -1.4754 C.2 1 noname -0.0027 6 C3 8.9891 4.9051 -1.5476 C.2 1 noname -0.0021 7 C4 10.4824 6.2774 -0.2502 C.2 1 noname -0.0276 8 C5 8.2818 4.5848 -0.3947 C.2 1 noname -0.0126 9 C6 9.7750 5.9572 0.9027 C.2 1 noname -0.0448 10 N1 7.2210 3.7690 -0.4644 N.3 1 noname -0.1387 11 C7 8.6747 5.1109 0.8304 C.2 1 noname -0.0339 12 C8 6.5391 3.4602 0.6470 C.2 1 noname 0.0832 13 O1 6.8925 3.9333 1.7488 O.2 1 noname -0.2777 14 C9 5.4388 2.6139 0.5748 C.2 1 noname -0.0166 15 C10 4.6655 2.5764 -0.5797 C.2 1 noname -0.0007 16 C11 5.1118 1.8052 1.6569 C.2 1 noname -0.0130 17 C12 3.5652 1.7301 -0.6519 C.2 1 noname -0.0310 18 C13 4.0115 0.9589 1.5847 C.2 1 noname -0.0472 19 C14 2.7920 1.6925 -1.8064 C.2 1 noname -0.0326 20 C15 3.2382 0.9214 0.4302 C.2 1 noname -0.0224 21 C16 1.6702 0.8199 -1.8606 C.2 1 noname -0.0193 22 C17 3.1467 2.5363 -2.9140 C.2 1 noname -0.0273 23 C18 2.0825 0.0324 0.3543 C.3 1 noname 0.0049 24 C19 0.9129 0.8161 -3.0565 C.2 1 noname -0.0273 25 C20 2.3808 2.5319 -4.1224 C.2 1 noname -0.0047 26 C21 1.2529 1.6565 -4.1808 C.2 1 noname 0.0421 27 C22 -0.2089 -0.0283 -3.1666 C.2 1 noname 0.0160 28 N2 0.4900 1.6161 -5.3130 N.2 1 noname -0.2316 29 N3 -0.9199 -0.0131 -4.3268 N.2 1 noname -0.2444 30 C23 -0.5877 0.7881 -5.3856 C.2 1 noname 0.0805 31 N4 -1.3287 0.7570 -6.5017 N.3 1 noname -0.0809 32 H1 8.6810 4.4926 -2.5084 H 1 noname 0.0645 33 H2 11.3452 6.9411 -0.1935 H 1 noname 0.0628 34 H3 10.0831 6.3697 1.8634 H 1 noname 0.0623 35 H4 6.9355 3.3868 -1.3546 H 1 noname 0.1374 36 H5 8.1200 4.8597 1.7345 H 1 noname 0.0639 37 H6 4.9220 3.2106 -1.4283 H 1 noname 0.0637 38 H7 5.7182 1.8347 2.5622 H 1 noname 0.0630 39 H8 3.7550 0.3247 2.4333 H 1 noname 0.0625 40 H9 1.4020 0.1802 -1.0198 H 1 noname 0.0636 41 H10 4.0136 3.1925 -2.8361 H 1 noname 0.0629 42 H11 1.7525 -0.2213 1.3617 H 1 noname 0.0280 43 H12 1.2735 0.5330 -0.1777 H 1 noname 0.0280 44 H13 2.3587 -0.8779 -0.1777 H 1 noname 0.0280 45 H14 2.6460 3.1702 -4.9651 H 1 noname 0.0645 46 H15 -0.5247 -0.6892 -2.3594 H 1 noname 0.0847 47 H16 -2.3366 0.7453 -6.4384 H 1 noname 0.1273 48 H17 -0.8793 0.7453 -7.4061 H 1 noname 0.1273 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 12 13 2 14 12 14 1 15 14 15 2 16 14 16 1 17 15 17 1 18 16 18 2 19 17 19 1 20 17 20 2 21 18 20 1 22 19 21 2 23 19 22 1 24 20 23 1 25 21 24 1 26 22 25 2 27 24 26 1 28 24 27 2 29 25 26 1 30 26 28 2 31 27 29 1 32 28 30 1 33 29 30 2 34 30 31 1 35 6 32 1 36 7 33 1 37 9 34 1 38 10 35 1 39 11 36 1 40 15 37 1 41 16 38 1 42 18 39 1 43 21 40 1 44 22 41 1 45 23 42 1 46 23 43 1 47 23 44 1 48 25 45 1 49 27 46 1 50 31 47 1 51 31 48 1 @SUBSTRUCTURE 1 noname 1