@MOLECULE 71711119 58 62 1 SMALL USER_CHARGES @ATOM 1 F1 2.2280 -11.9330 1.1828 F 1 noname -0.2509 2 O1 -1.1755 -2.3027 1.1965 O.2 1 noname -0.2824 3 N1 -0.6035 -1.2534 -0.8615 N.3 1 noname -0.0622 4 N2 -1.1205 -4.8267 -0.0466 N.2 1 noname -0.2532 5 N3 -1.0818 -5.8030 -0.8875 N.3 1 noname 0.0102 6 C1 -0.0448 -0.0713 -0.1825 C.3 1 noname 0.0265 7 C2 2.0621 1.0192 0.8590 C.3 1 noname -0.0391 8 C3 0.4954 2.4037 -0.6350 C.3 1 noname -0.0391 9 C4 -0.2807 1.6871 1.7091 C.3 1 noname -0.0391 10 C5 -0.8827 0.4102 1.0703 C.3 1 noname -0.0315 11 C6 -0.0831 1.0803 -1.2299 C.3 1 noname -0.0315 12 C7 1.4704 -0.2777 0.2145 C.3 1 noname -0.0315 13 C8 -0.3431 2.8227 0.6271 C.3 1 noname -0.0474 14 C9 1.2109 1.4133 2.1211 C.3 1 noname -0.0474 15 C10 1.9877 2.1688 -0.2086 C.3 1 noname -0.0474 16 C11 -0.9186 -2.4065 -0.0224 C.2 1 noname 0.0524 17 C12 -0.9102 -3.6817 -0.7140 C.2 1 noname 0.0703 18 C13 -0.7245 -3.9707 -2.0572 C.2 1 noname 0.0230 19 C14 -0.8393 -5.3510 -2.1133 C.2 1 noname -0.0430 20 C15 -0.0691 -3.2859 -3.0739 C.2 1 noname -0.0222 21 C16 -1.2702 -7.1598 -0.5536 C.3 1 noname -0.0213 22 C17 -0.6818 -6.0082 -3.3279 C.2 1 noname -0.0322 23 C18 0.0789 -7.7912 -0.2043 C.3 1 noname -0.0353 24 C19 0.4711 -3.9853 -4.1469 C.2 1 noname -0.0508 25 C20 0.0030 -5.3181 -4.3648 C.2 1 noname -0.0488 26 C21 -0.1256 -9.2635 0.1581 C.3 1 noname -0.0492 27 C22 1.2236 -9.8949 0.5074 C.3 1 noname -0.0245 28 C23 1.0191 -11.3673 0.8698 C.3 1 noname 0.0895 29 H1 0.4398 3.1841 -1.3813 H 1 noname 0.0303 30 H2 -0.8739 1.9426 2.5810 H 1 noname 0.0303 31 H3 3.0934 0.8428 1.1500 H 1 noname 0.0303 32 H4 -1.1116 1.2454 -1.5509 H 1 noname 0.0288 33 H5 1.5517 -1.1040 0.9207 H 1 noname 0.0288 34 H6 2.0409 -0.5613 -0.6699 H 1 noname 0.0288 35 H7 0.5014 0.7878 -2.1022 H 1 noname 0.0288 36 H8 -1.9109 0.6061 0.7662 H 1 noname 0.0288 37 H9 -0.8682 -0.3883 1.8122 H 1 noname 0.0288 38 H10 2.3927 3.0868 0.2173 H 1 noname 0.0272 39 H11 2.5757 1.8844 -1.0812 H 1 noname 0.0272 40 H12 1.2438 0.6027 2.8491 H 1 noname 0.0272 41 H13 1.6285 2.3154 2.5684 H 1 noname 0.0272 42 H14 -1.3799 2.9900 0.3353 H 1 noname 0.0272 43 H15 0.0685 3.7433 1.0409 H 1 noname 0.0272 44 H16 -0.7548 -1.2653 -1.8195 H 1 noname 0.1320 45 H17 0.0154 -2.2703 -3.0327 H 1 noname 0.0630 46 H18 -1.9388 -7.2334 0.3041 H 1 noname 0.0490 47 H19 -1.7085 -7.6853 -1.4020 H 1 noname 0.0490 48 H20 -1.0443 -6.9510 -3.4699 H 1 noname 0.0643 49 H21 0.5172 -7.2657 0.6442 H 1 noname 0.0283 50 H22 0.7475 -7.7176 -1.0620 H 1 noname 0.0283 51 H23 1.1738 -3.5641 -4.7546 H 1 noname 0.0622 52 H24 0.1602 -5.7736 -5.2638 H 1 noname 0.0623 53 H25 -0.7941 -9.3371 1.0158 H 1 noname 0.0268 54 H26 -0.5639 -9.7890 -0.6903 H 1 noname 0.0268 55 H27 1.6619 -9.3694 1.3559 H 1 noname 0.0293 56 H28 1.8921 -9.8213 -0.3503 H 1 noname 0.0293 57 H29 0.3505 -11.4408 1.7275 H 1 noname 0.0623 58 H30 0.5808 -11.8928 0.0214 H 1 noname 0.0623 @BOND 1 1 28 1 2 2 16 2 3 3 6 1 4 3 16 1 5 3 44 1 6 4 5 1 7 4 17 2 8 5 19 1 9 5 21 1 10 6 10 1 11 6 11 1 12 6 12 1 13 7 12 1 14 7 14 1 15 7 15 1 16 7 31 1 17 8 11 1 18 8 13 1 19 8 15 1 20 8 29 1 21 9 10 1 22 9 13 1 23 9 14 1 24 9 30 1 25 10 36 1 26 10 37 1 27 11 32 1 28 11 35 1 29 12 33 1 30 12 34 1 31 13 42 1 32 13 43 1 33 14 40 1 34 14 41 1 35 15 38 1 36 15 39 1 37 16 17 1 38 17 18 1 39 18 19 1 40 18 20 2 41 19 22 2 42 20 24 1 43 20 45 1 44 21 23 1 45 21 46 1 46 21 47 1 47 22 25 1 48 22 48 1 49 23 26 1 50 23 49 1 51 23 50 1 52 24 25 2 53 24 51 1 54 25 52 1 55 26 27 1 56 26 53 1 57 26 54 1 58 27 28 1 59 27 55 1 60 27 56 1 61 28 57 1 62 28 58 1 @SUBSTRUCTURE 1 noname 1