@MOLECULE DB02465 61 60 1 SMALL USER_CHARGES @ATOM 1 P1 -0.1200 -8.3690 -0.0217 P 1 noname 0.0744 2 F1 -0.2391 -9.8173 0.3115 F 1 noname -0.0622 3 O1 -0.8953 -8.0824 -1.2009 O.2 1 noname -0.2102 4 O2 -0.6455 -7.5265 1.1554 O.3 1 noname -0.1724 5 C1 1.4632 -7.9971 -0.3006 C.3 1 noname 0.0594 6 C2 -2.0080 -7.8465 1.3954 C.3 1 noname 0.0494 7 C3 1.5854 -6.5109 -0.6426 C.3 1 noname -0.0396 8 C4 3.0534 -6.1661 -0.9012 C.3 1 noname -0.0490 9 C5 3.1756 -4.6798 -1.2432 C.3 1 noname -0.0350 10 C6 4.5477 -4.3575 -1.4849 C.2 1 noname -0.0870 11 C7 4.8926 -3.1127 -1.8016 C.2 1 noname -0.0859 12 C8 3.8914 -2.0965 -1.9003 C.3 1 noname -0.0169 13 C9 4.5064 -0.8538 -2.2501 C.2 1 noname -0.0844 14 C10 3.7618 0.2384 -2.3975 C.2 1 noname -0.0844 15 C11 2.3463 0.1700 -2.2063 C.3 1 noname -0.0169 16 C12 1.7735 1.4628 -2.4192 C.2 1 noname -0.0844 17 C13 0.4610 1.6374 -2.2941 C.2 1 noname -0.0844 18 C14 -0.3774 0.5323 -1.9468 C.3 1 noname -0.0169 19 C15 -1.7369 0.9699 -1.8737 C.2 1 noname -0.0859 20 C16 -2.6982 0.1046 -1.5638 C.2 1 noname -0.0870 21 C17 -2.3724 -1.2633 -1.3036 C.3 1 noname -0.0350 22 C18 -3.6499 -2.0381 -0.9742 C.3 1 noname -0.0498 23 C19 -3.3013 -3.5016 -0.6958 C.3 1 noname -0.0532 24 C20 -4.5788 -4.2764 -0.3664 C.3 1 noname -0.0561 25 C21 -4.2302 -5.7399 -0.0880 C.3 1 noname -0.0654 26 H1 2.0102 -8.1262 0.6333 H 1 noname 0.0420 27 H2 1.7823 -8.5287 -1.1971 H 1 noname 0.0420 28 H3 -2.1876 -7.8886 2.4697 H 1 noname 0.0539 29 H4 -2.6447 -7.0818 0.9504 H 1 noname 0.0539 30 H5 -2.2377 -8.8146 0.9504 H 1 noname 0.0539 31 H6 1.0562 -6.3599 -1.5835 H 1 noname 0.0275 32 H7 1.2842 -5.9575 0.2469 H 1 noname 0.0275 33 H8 3.5825 -6.3170 0.0397 H 1 noname 0.0270 34 H9 3.3546 -6.7194 -1.7907 H 1 noname 0.0270 35 H10 2.6635 -4.5102 -2.1904 H 1 noname 0.0309 36 H11 2.8914 -4.1078 -0.3600 H 1 noname 0.0309 37 H12 5.3574 -5.0848 -1.4258 H 1 noname 0.0572 38 H13 5.9538 -2.9324 -1.9733 H 1 noname 0.0575 39 H14 3.2440 -2.3725 -2.7327 H 1 noname 0.0353 40 H15 3.4719 -1.9700 -0.9023 H 1 noname 0.0353 41 H16 5.5781 -0.7351 -2.4097 H 1 noname 0.0575 42 H17 4.2908 1.1533 -2.6646 H 1 noname 0.0575 43 H18 1.9543 -0.4805 -2.9880 H 1 noname 0.0353 44 H19 2.1822 -0.0781 -1.1576 H 1 noname 0.0353 45 H20 2.3567 2.3444 -2.6856 H 1 noname 0.0575 46 H21 0.0872 2.6462 -2.4694 H 1 noname 0.0575 47 H22 -0.3194 -0.1781 -2.7714 H 1 noname 0.0353 48 H23 -0.0915 0.2244 -0.9410 H 1 noname 0.0353 49 H24 -2.0507 1.9969 -2.0604 H 1 noname 0.0575 50 H25 -3.7129 0.5008 -1.5245 H 1 noname 0.0572 51 H26 -1.9756 -1.6534 -2.2408 H 1 noname 0.0309 52 H27 -1.7477 -1.2509 -0.4104 H 1 noname 0.0309 53 H28 -4.0376 -1.6244 -0.0432 H 1 noname 0.0270 54 H29 -4.2655 -2.0269 -1.8736 H 1 noname 0.0270 55 H30 -2.9136 -3.9153 -1.6267 H 1 noname 0.0266 56 H31 -2.6857 -3.5128 0.2037 H 1 noname 0.0266 57 H32 -4.9665 -3.8627 0.5646 H 1 noname 0.0264 58 H33 -5.1944 -4.2652 -1.2658 H 1 noname 0.0264 59 H34 -4.1907 -5.9056 0.9886 H 1 noname 0.0230 60 H35 -4.9915 -6.3847 -0.5271 H 1 noname 0.0230 61 H36 -3.2600 -5.9722 -0.5271 H 1 noname 0.0230 @BOND 1 1 2 1 2 1 3 2 3 1 4 1 4 1 5 1 5 4 6 1 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 2 11 11 12 1 12 12 13 1 13 13 14 2 14 14 15 1 15 15 16 1 16 16 17 2 17 17 18 1 18 18 19 1 19 19 20 2 20 20 21 1 21 21 22 1 22 22 23 1 23 23 24 1 24 24 25 1 25 5 26 1 26 5 27 1 27 6 28 1 28 6 29 1 29 6 30 1 30 7 31 1 31 7 32 1 32 8 33 1 33 8 34 1 34 9 35 1 35 9 36 1 36 10 37 1 37 11 38 1 38 12 39 1 39 12 40 1 40 13 41 1 41 14 42 1 42 15 43 1 43 15 44 1 44 16 45 1 45 17 46 1 46 18 47 1 47 18 48 1 48 19 49 1 49 20 50 1 50 21 51 1 51 21 52 1 52 22 53 1 53 22 54 1 54 23 55 1 55 23 56 1 56 24 57 1 57 24 58 1 58 25 59 1 59 25 60 1 60 25 61 1 @SUBSTRUCTURE 1 noname 1