@MOLECULE 213782 51 55 1 SMALL USER_CHARGES @ATOM 1 F1 1.9441 -7.3320 -0.1502 F 1 noname -0.1661 2 C1 2.0084 -5.9625 -0.1424 C.3 1 noname 0.4161 3 F2 3.2970 -5.5641 -0.3883 F 1 noname -0.1661 4 F3 1.6109 -5.4933 1.0830 F 1 noname -0.1661 5 C2 1.1279 -5.4281 -1.1771 C.2 1 noname -0.0003 6 C3 0.0442 -4.5543 -0.8479 C.2 1 noname 0.0064 7 C4 1.3187 -5.7595 -2.5531 C.2 1 noname -0.0214 8 C5 -0.8836 -4.0236 -1.8185 C.2 1 noname -0.0070 9 C6 0.4823 -5.2471 -3.5913 C.2 1 noname -0.0424 10 N1 -1.9983 -3.1881 -1.4298 N.3 1 noname -0.1044 11 C7 -0.5962 -4.3924 -3.2075 C.2 1 noname -0.0252 12 C8 -2.8354 -2.6492 -2.5066 C.2 1 noname 0.0557 13 C9 -2.4283 -2.7336 -0.1189 C.2 1 noname 0.0536 14 O1 -3.4202 -3.3389 -3.3696 O.2 1 noname -0.2687 15 N2 -2.8889 -1.1788 -2.4264 N.3 1 noname -0.0437 16 C10 -2.2563 -3.3930 1.1352 C.2 1 noname 0.0542 17 C11 -3.1568 -1.4862 -0.0067 C.2 1 noname 0.0308 18 C12 -3.5941 -0.7513 -1.2021 C.3 1 noname 0.0351 19 C13 -2.3425 -0.3019 -3.3858 C.3 1 noname -0.0041 20 N3 -1.7730 -4.6466 1.2985 N.2 1 noname -0.2135 21 C14 -2.6396 -2.7366 2.3607 C.2 1 noname 0.0336 22 C15 -3.5543 -0.8965 1.2069 C.2 1 noname 0.0230 23 C16 -1.5681 -5.2462 2.5195 C.2 1 noname 0.0274 24 N4 -3.2561 -1.5392 2.3441 N.2 1 noname -0.2318 25 C17 -2.4531 -3.2684 3.6422 C.2 1 noname 0.0070 26 C18 -1.0191 -6.5583 2.5649 C.2 1 noname 0.0192 27 C19 -1.9059 -4.5475 3.7255 C.2 1 noname 0.0015 28 C20 -1.2638 -7.4994 1.5264 C.2 1 noname 0.0454 29 C21 -0.1952 -7.0385 3.6347 C.2 1 noname 0.0454 30 N5 -0.7441 -8.7636 1.5815 N.2 1 noname -0.1854 31 N6 0.2963 -8.3119 3.6620 N.2 1 noname -0.1854 32 C22 0.0274 -9.1832 2.6381 C.2 1 noname 0.1257 33 O2 0.5161 -10.4412 2.6678 O.3 1 noname -0.2089 34 C23 1.7885 -10.4698 2.0381 C.3 1 noname 0.0456 35 H1 -0.0814 -4.2781 0.1990 H 1 noname 0.0645 36 H2 2.1351 -6.4300 -2.8216 H 1 noname 0.0628 37 H3 0.6604 -5.4989 -4.6367 H 1 noname 0.0623 38 H4 -1.2265 -4.0052 -4.0081 H 1 noname 0.0639 39 H5 -3.3101 0.2879 -1.0361 H 1 noname 0.0487 40 H6 -4.6419 -1.0132 -1.3489 H 1 noname 0.0487 41 H7 -1.8318 0.5175 -2.8800 H 1 noname 0.0399 42 H8 -1.6313 -0.8434 -4.0096 H 1 noname 0.0399 43 H9 -3.1419 0.0980 -4.0096 H 1 noname 0.0399 44 H10 -4.0895 0.0513 1.2656 H 1 noname 0.0843 45 H11 -2.7230 -2.7095 4.5383 H 1 noname 0.0646 46 H12 -1.7461 -4.9901 4.7087 H 1 noname 0.0646 47 H13 -1.8708 -7.2428 0.6581 H 1 noname 0.0848 48 H14 0.0728 -6.3989 4.4755 H 1 noname 0.0848 49 H15 2.5697 -10.4873 2.7980 H 1 noname 0.0536 50 H16 1.8663 -11.3617 1.4164 H 1 noname 0.0536 51 H17 1.9063 -9.5822 1.4164 H 1 noname 0.0536 @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 10 13 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 15 18 1 19 15 19 1 20 16 20 2 21 16 21 1 22 17 22 1 23 17 18 1 24 20 23 1 25 21 24 1 26 21 25 2 27 22 24 2 28 23 26 1 29 23 27 2 30 25 27 1 31 26 28 2 32 26 29 1 33 28 30 1 34 29 31 2 35 30 32 2 36 31 32 1 37 32 33 1 38 33 34 1 39 6 35 1 40 7 36 1 41 9 37 1 42 11 38 1 43 18 39 1 44 18 40 1 45 19 41 1 46 19 42 1 47 19 43 1 48 22 44 1 49 25 45 1 50 27 46 1 51 28 47 1 52 29 48 1 53 34 49 1 54 34 50 1 55 34 51 1 @SUBSTRUCTURE 1 noname 1