@MOLECULE DB04432 47 49 1 SMALL USER_CHARGES @ATOM 1 F1 -0.2495 -1.3669 -0.1986 F 1 noname -0.1332 2 C1 0.1793 -0.1474 -0.0517 C.2 1 noname 0.1270 3 C2 1.5592 0.1202 0.2381 C.2 1 noname 0.2382 4 C3 -0.7146 0.9699 -0.1747 C.2 1 noname 0.1094 5 O1 2.4428 -0.8927 0.3642 O.3 1 noname -0.1311 6 N1 1.9699 1.4364 0.3863 N.2 1 noname 0.0043 7 C4 -0.2645 2.3236 -0.0167 C.2 1 noname 0.1270 8 C5 -2.1229 0.7215 -0.4691 C.3 1 noname 0.0437 9 C6 2.9869 -1.1678 -0.8402 C.2 1 noname 0.0163 10 C7 1.1225 2.5342 0.2716 C.2 1 noname 0.2382 11 F2 -1.0878 3.3244 -0.1314 F 1 noname -0.1332 12 C8 3.9311 -2.1806 -0.9613 C.2 1 noname 0.0067 13 C9 2.6029 -0.4383 -1.9594 C.2 1 noname -0.0134 14 O2 1.6032 3.7857 0.4306 O.3 1 noname -0.1311 15 C10 4.4914 -2.4639 -2.2014 C.2 1 noname -0.0128 16 C11 3.1631 -0.7216 -3.1995 C.2 1 noname -0.0397 17 C12 2.0130 4.2653 -0.7630 C.2 1 noname 0.0163 18 C13 5.4152 -3.4549 -2.3199 C.2 1 noname -0.0744 19 C14 4.1074 -1.7344 -3.3205 C.2 1 noname -0.0381 20 C15 2.5494 5.5446 -0.8508 C.2 1 noname 0.0067 21 C16 1.8986 3.4798 -1.9040 C.2 1 noname -0.0134 22 N2 5.9291 -3.7148 -3.4574 N.2 1 noname -0.2743 23 N3 5.7771 -4.1425 -1.2652 N.3 1 noname -0.1371 24 C17 2.9714 6.0385 -2.0797 C.2 1 noname -0.0128 25 C18 2.3206 3.9737 -3.1329 C.2 1 noname -0.0397 26 C19 3.4962 7.2902 -2.1656 C.2 1 noname -0.0744 27 C20 2.8569 5.2530 -3.2207 C.2 1 noname -0.0381 28 N4 3.8832 7.7432 -3.2928 N.2 1 noname -0.2743 29 N5 3.6040 8.0305 -1.0902 N.3 1 noname -0.1371 30 H1 2.9446 1.6055 0.5899 H 1 noname 0.2974 31 H2 -2.6774 0.6236 0.4642 H 1 noname 0.0282 32 H3 -2.5259 1.5541 -1.0456 H 1 noname 0.0282 33 H4 -2.2167 -0.1988 -1.0456 H 1 noname 0.0282 34 H5 4.2322 -2.7527 -0.0837 H 1 noname 0.0657 35 H6 1.8624 0.3560 -1.8644 H 1 noname 0.0650 36 H7 2.8620 -0.1495 -4.0771 H 1 noname 0.0623 37 H8 4.5467 -1.9566 -4.2930 H 1 noname 0.0630 38 H9 2.6391 6.1606 0.0440 H 1 noname 0.0657 39 H10 1.4780 2.4766 -1.8351 H 1 noname 0.0650 40 H11 5.9849 -4.7157 -3.5809 H 1 noname 0.1888 41 H12 6.7440 -4.4075 -1.1425 H 1 noname 0.1257 42 H13 5.0893 -4.4075 -0.5747 H 1 noname 0.1257 43 H14 2.2308 3.3577 -4.0277 H 1 noname 0.0623 44 H15 3.1878 5.6402 -4.1844 H 1 noname 0.0630 45 H16 4.0953 6.9727 -3.9105 H 1 noname 0.1888 46 H17 4.5159 8.3159 -0.7630 H 1 noname 0.1257 47 H18 2.7753 8.3159 -0.5884 H 1 noname 0.1257 @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 4 8 1 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 2 13 9 13 1 14 10 14 1 15 12 15 1 16 13 16 2 17 14 17 1 18 15 18 1 19 15 19 2 20 16 19 1 21 17 20 2 22 17 21 1 23 18 22 2 24 18 23 1 25 20 24 1 26 21 25 2 27 24 26 1 28 24 27 2 29 25 27 1 30 26 28 2 31 26 29 1 32 6 30 1 33 8 31 1 34 8 32 1 35 8 33 1 36 12 34 1 37 13 35 1 38 16 36 1 39 19 37 1 40 20 38 1 41 21 39 1 42 22 40 1 43 23 41 1 44 23 42 1 45 25 43 1 46 27 44 1 47 28 45 1 48 29 46 1 49 29 47 1 @SUBSTRUCTURE 1 noname 1