@MOLECULE 91667697 53 56 1 SMALL USER_CHARGES @ATOM 1 F1 -2.0598 -7.1274 1.7617 F 1 noname -0.2425 2 O1 -3.1320 -6.7516 -0.8622 O.2 1 noname -0.2868 3 O2 -12.8308 -0.7186 -1.5214 O.2 1 noname -0.3012 4 C1 -7.1262 -5.3194 0.6911 C.3 1 noname -0.0321 5 C2 -5.6598 -5.1744 0.1281 C.3 1 noname -0.0196 6 C3 -7.9475 -3.9834 0.6938 C.3 1 noname -0.0340 7 C4 -8.2035 -3.6391 -0.8340 C.3 1 noname -0.0291 8 C5 -9.3874 -2.6016 -1.0813 C.3 1 noname -0.0076 9 C6 -5.2123 -6.6938 0.2429 C.3 1 noname 0.0260 10 C7 -5.7517 -4.5655 -1.3358 C.3 1 noname -0.0466 11 C8 -6.7936 -3.4020 -1.5090 C.3 1 noname -0.0488 12 C9 -6.9723 -6.1940 1.9559 C.3 1 noname -0.0489 13 C10 -9.2215 -4.0624 1.5888 C.3 1 noname -0.0461 14 C11 -5.9745 -7.2596 1.4908 C.3 1 noname -0.0426 15 C12 -10.5702 -2.9160 -0.1997 C.2 1 noname -0.0341 16 C13 -4.7453 -4.2000 0.9657 C.3 1 noname -0.0587 17 C14 -10.5391 -3.9445 0.8327 C.3 1 noname -0.0307 18 C15 -9.9132 -2.6490 -2.5818 C.3 1 noname -0.0366 19 C16 -8.8537 -1.1408 -0.8378 C.3 1 noname -0.0556 20 C17 -3.7545 -7.0859 0.1761 C.2 1 noname 0.1576 21 C18 -11.3800 -2.1354 -2.8090 C.3 1 noname 0.0110 22 C19 -11.7906 -2.3897 -0.4327 C.2 1 noname 0.0227 23 C20 -12.0235 -1.6754 -1.5681 C.2 1 noname 0.0936 24 C21 -2.9968 -7.8823 1.1463 C.3 1 noname 0.1480 25 H1 -7.7034 -5.9904 0.0363 H 1 noname 0.0311 26 H2 -7.3427 -3.1833 1.1359 H 1 noname 0.0309 27 H3 -8.5705 -4.5575 -1.3050 H 1 noname 0.0314 28 H4 -5.6556 -7.1841 -0.6390 H 1 noname 0.0389 29 H5 -5.9887 -5.3619 -2.0458 H 1 noname 0.0272 30 H6 -4.7658 -4.1780 -1.6298 H 1 noname 0.0272 31 H7 -6.9327 -3.2526 -2.5766 H 1 noname 0.0270 32 H8 -6.3495 -2.4861 -1.1151 H 1 noname 0.0270 33 H9 -7.8875 -6.6915 2.2785 H 1 noname 0.0270 34 H10 -6.5852 -5.5974 2.7962 H 1 noname 0.0270 35 H11 -9.2997 -4.9971 2.1388 H 1 noname 0.0273 36 H12 -9.1883 -3.2835 2.3551 H 1 noname 0.0273 37 H13 -6.4803 -8.1859 1.2118 H 1 noname 0.0274 38 H14 -5.3709 -7.4394 2.3591 H 1 noname 0.0274 39 H15 -3.7525 -4.1319 0.5209 H 1 noname 0.0236 40 H16 -5.1367 -3.1861 0.9803 H 1 noname 0.0236 41 H17 -4.6172 -4.5217 1.9976 H 1 noname 0.0236 42 H18 -11.2828 -3.8007 1.6150 H 1 noname 0.0313 43 H19 -10.7628 -4.8874 0.3295 H 1 noname 0.0313 44 H20 -9.8804 -3.6795 -2.9415 H 1 noname 0.0280 45 H21 -9.2569 -2.0768 -3.2399 H 1 noname 0.0280 46 H22 -9.6260 -0.3946 -1.0123 H 1 noname 0.0239 47 H23 -8.4696 -1.0103 0.1724 H 1 noname 0.0239 48 H24 -8.0456 -0.8985 -1.5329 H 1 noname 0.0239 49 H25 -11.9962 -2.9651 -3.1813 H 1 noname 0.0350 50 H26 -11.4157 -1.3320 -3.5481 H 1 noname 0.0350 51 H27 -12.5761 -2.5370 0.1627 H 1 noname 0.0659 52 H28 -3.6081 -8.3723 1.9061 H 1 noname 0.0707 53 H29 -2.4150 -8.6156 0.5878 H 1 noname 0.0707 @BOND 1 1 24 1 2 2 20 2 3 3 23 2 4 4 5 1 5 4 6 1 6 4 12 1 7 4 25 1 8 5 9 1 9 5 10 1 10 5 16 1 11 6 7 1 12 6 13 1 13 6 26 1 14 7 8 1 15 7 11 1 16 7 27 1 17 8 15 1 18 8 18 1 19 8 19 1 20 9 14 1 21 9 20 1 22 9 28 1 23 10 11 1 24 10 29 1 25 10 30 1 26 11 31 1 27 11 32 1 28 12 14 1 29 12 33 1 30 12 34 1 31 13 17 1 32 13 35 1 33 13 36 1 34 14 37 1 35 14 38 1 36 15 17 1 37 15 22 2 38 16 39 1 39 16 40 1 40 16 41 1 41 17 42 1 42 17 43 1 43 18 21 1 44 18 44 1 45 18 45 1 46 19 46 1 47 19 47 1 48 19 48 1 49 20 24 1 50 21 23 1 51 21 49 1 52 21 50 1 53 22 23 1 54 22 51 1 55 24 52 1 56 24 53 1 @SUBSTRUCTURE 1 noname 1