@MOLECULE 172278 72 75 1 SMALL USER_CHARGES @ATOM 1 F1 3.6709 2.0519 -0.2699 F 1 noname -0.1570 2 C1 2.5927 1.4656 0.1620 C.2 1 noname 0.0637 3 C2 1.5505 2.1988 0.8162 C.2 1 noname 0.0393 4 C3 2.3924 0.0647 0.0069 C.2 1 noname 0.0195 5 C4 1.5463 3.6705 0.9270 C.2 1 noname 0.0312 6 C5 0.3957 1.5927 1.3858 C.2 1 noname -0.0003 7 C6 1.1844 -0.6007 0.4964 C.2 1 noname -0.0104 8 O1 1.0537 4.2323 1.9292 O.2 1 noname -0.2914 9 N1 2.1307 4.4609 -0.1607 N.3 1 noname -0.0630 10 C7 0.2263 0.1947 1.2145 C.2 1 noname -0.0350 11 C8 0.9067 -2.0319 0.2582 C.2 1 noname -0.0052 12 C9 2.3876 5.8714 0.1744 C.3 1 noname 0.0216 13 C10 1.9108 4.2093 -1.6108 C.3 1 noname 0.0216 14 C11 0.0425 -2.8916 1.0603 C.2 1 noname 0.0144 15 C12 1.5607 -2.6029 -0.8858 C.2 1 noname -0.0206 16 C13 3.8448 6.0704 -0.2983 C.3 1 noname 0.0205 17 C14 3.3300 4.3742 -2.2308 C.3 1 noname 0.0205 18 C15 -0.6943 -2.5723 2.1118 C.1 1 noname -0.0194 19 C16 -0.0684 -4.2653 0.7358 C.2 1 noname 0.0216 20 C17 1.4152 -3.9783 -1.1783 C.2 1 noname -0.0093 21 N2 4.0912 5.5526 -1.6904 N.3 1 noname -0.2930 22 C18 4.1665 7.5655 -0.2647 C.3 1 noname -0.0483 23 C19 3.2003 4.5550 -3.7471 C.3 1 noname -0.0483 24 C20 -1.3878 -2.3265 3.0686 C.1 1 noname -0.0287 25 N3 0.6220 -4.7303 -0.3491 N.2 1 noname -0.2584 26 C21 -0.8972 -5.1607 1.5376 C.3 1 noname 0.0440 27 C22 5.5242 5.3372 -1.8837 C.3 1 noname 0.0224 28 C23 -2.1447 -2.0350 4.1262 C.2 1 noname -0.0258 29 C24 -0.0270 -6.2763 2.1199 C.3 1 noname -0.0597 30 C25 6.0287 4.3154 -0.8628 C.3 1 noname 0.0591 31 C26 -2.2992 -0.6739 4.5369 C.2 1 noname 0.0129 32 C27 -2.8131 -3.0583 4.8764 C.2 1 noname -0.0244 33 O2 7.4206 4.1063 -1.0505 O.3 1 noname -0.3832 34 N4 -3.0924 -0.4265 5.6433 N.2 1 noname -0.2633 35 C28 -3.6266 -2.7801 6.0148 C.2 1 noname -0.0315 36 C29 7.8889 3.1580 -0.1030 C.3 1 noname 0.0356 37 C30 -3.7381 -1.4057 6.3689 C.2 1 noname 0.0172 38 N5 -4.4838 -1.0571 7.4262 N.3 1 noname -0.1209 39 H1 3.1745 -0.5062 -0.4935 H 1 noname 0.0660 40 H2 -0.3374 2.1818 1.9369 H 1 noname 0.0631 41 H3 -0.6575 -0.2777 1.6432 H 1 noname 0.0629 42 H4 1.7291 6.4806 -0.4446 H 1 noname 0.0452 43 H5 2.3529 5.9619 1.2601 H 1 noname 0.0452 44 H6 1.6023 3.1692 -1.7165 H 1 noname 0.0452 45 H7 1.2710 5.0083 -1.9854 H 1 noname 0.0452 46 H8 2.1752 -1.9847 -1.5402 H 1 noname 0.0645 47 H9 4.5009 5.4958 0.3555 H 1 noname 0.0477 48 H10 3.9125 3.4913 -1.9678 H 1 noname 0.0477 49 H11 1.9064 -4.4511 -2.0288 H 1 noname 0.0839 50 H12 4.2382 7.8985 0.7707 H 1 noname 0.0247 51 H13 5.1153 7.7444 -0.7704 H 1 noname 0.0247 52 H14 3.3752 8.1188 -0.7704 H 1 noname 0.0247 53 H15 3.1592 3.5773 -4.2273 H 1 noname 0.0247 54 H16 2.2879 5.1081 -3.9703 H 1 noname 0.0247 55 H17 4.0614 5.1081 -4.1221 H 1 noname 0.0247 56 H18 -1.2661 -4.5622 2.3706 H 1 noname 0.0329 57 H19 -1.6005 -5.6203 0.8432 H 1 noname 0.0329 58 H20 5.6302 4.8930 -2.8734 H 1 noname 0.0454 59 H21 6.0039 6.2901 -1.6598 H 1 noname 0.0454 60 H22 -0.0609 -6.2329 3.2085 H 1 noname 0.0234 61 H23 -0.4018 -7.2428 1.7830 H 1 noname 0.0234 62 H24 1.0017 -6.1481 1.7830 H 1 noname 0.0234 63 H25 5.9320 4.7543 0.1303 H 1 noname 0.0579 64 H26 5.5583 3.3572 -1.0834 H 1 noname 0.0579 65 H27 -1.8224 0.1574 4.0176 H 1 noname 0.0853 66 H28 -2.6974 -4.0970 4.5667 H 1 noname 0.0637 67 H29 -4.1301 -3.5664 6.5773 H 1 noname 0.0656 68 H30 7.7051 3.5302 0.9049 H 1 noname 0.0529 69 H31 7.3624 2.2139 -0.2433 H 1 noname 0.0529 70 H32 8.9585 3.0019 -0.2433 H 1 noname 0.0529 71 H33 -4.0501 -0.9257 8.3288 H 1 noname 0.1257 72 H34 -5.4796 -0.9257 7.3206 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 5 8 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 14 19 1 20 15 20 2 21 16 21 1 22 16 22 1 23 17 23 1 24 17 21 1 25 18 24 3 26 19 25 2 27 19 26 1 28 20 25 1 29 21 27 1 30 24 28 1 31 26 29 1 32 27 30 1 33 28 31 2 34 28 32 1 35 30 33 1 36 31 34 1 37 32 35 2 38 33 36 1 39 34 37 2 40 35 37 1 41 37 38 1 42 4 39 1 43 6 40 1 44 10 41 1 45 12 42 1 46 12 43 1 47 13 44 1 48 13 45 1 49 15 46 1 50 16 47 1 51 17 48 1 52 20 49 1 53 22 50 1 54 22 51 1 55 22 52 1 56 23 53 1 57 23 54 1 58 23 55 1 59 26 56 1 60 26 57 1 61 27 58 1 62 27 59 1 63 29 60 1 64 29 61 1 65 29 62 1 66 30 63 1 67 30 64 1 68 31 65 1 69 32 66 1 70 35 67 1 71 36 68 1 72 36 69 1 73 36 70 1 74 38 71 1 75 38 72 1 @SUBSTRUCTURE 1 noname 1