@MOLECULE 136488 53 58 1 SMALL USER_CHARGES @ATOM 1 F1 1.3952 -0.4300 6.9979 F 1 noname -0.1578 2 C1 1.8853 0.3242 6.0578 C.2 1 noname 0.0652 3 C2 3.1456 0.9855 6.2219 C.2 1 noname 0.0404 4 C3 1.1913 0.5176 4.8414 C.2 1 noname 0.0262 5 C4 3.7588 1.0354 7.4816 C.2 1 noname 0.0921 6 C5 3.7490 1.7966 5.2089 C.2 1 noname 0.0010 7 C6 1.7693 1.3581 3.8237 C.2 1 noname -0.0041 8 N1 5.0061 1.4739 7.7274 N.2 1 noname -0.2705 9 N2 3.1060 0.9102 8.6450 N.2 1 noname -0.1846 10 C7 3.0455 1.9864 4.0062 C.2 1 noname -0.0277 11 C8 1.0817 1.5662 2.5932 C.2 1 noname 0.0614 12 N3 5.1061 1.6835 8.9924 N.3 1 noname -0.0026 13 C9 3.9509 1.3463 9.5849 C.2 1 noname -0.0102 14 C10 1.5155 2.2790 1.4725 C.2 1 noname 0.0214 15 C11 -0.1786 1.1076 2.1893 C.2 1 noname 0.0444 16 N4 2.6792 2.9124 1.2000 N.2 1 noname -0.1906 17 N5 0.5463 2.2614 0.5365 N.3 1 noname -0.0574 18 N6 -0.4447 1.5631 0.9499 N.2 1 noname -0.2970 19 C12 2.8768 3.5360 -0.0140 C.2 1 noname 0.0803 20 C13 0.6322 2.8903 -0.6768 C.2 1 noname -0.0349 21 N7 4.0868 4.1689 -0.1835 N.3 1 noname -0.0678 22 C14 1.8395 3.5587 -0.9913 C.2 1 noname 0.0219 23 C15 4.8223 4.7864 0.8445 C.2 1 noname 0.1411 24 C16 4.8989 4.1546 -1.3372 C.3 1 noname 0.0750 25 O1 4.4743 5.6628 1.6650 O.2 1 noname -0.2290 26 O2 6.0759 4.1296 0.6850 O.3 1 noname -0.1844 27 C17 4.7955 5.4404 -2.0211 C.2 1 noname -0.0573 28 C18 6.2907 4.0153 -0.7226 C.3 1 noname 0.0785 29 C19 4.3273 5.4965 -3.3286 C.2 1 noname -0.0418 30 C20 5.1652 6.6085 -1.3645 C.2 1 noname -0.0418 31 C21 4.2288 6.7206 -3.9797 C.2 1 noname -0.0280 32 C22 5.0666 7.8327 -2.0156 C.2 1 noname -0.0280 33 C23 4.5984 7.8887 -3.3232 C.2 1 noname 0.0001 34 O3 4.5028 9.0776 -3.9555 O.3 1 noname -0.2774 35 C24 3.2177 9.6353 -3.7230 C.3 1 noname 0.0423 36 H1 0.2291 0.0281 4.6910 H 1 noname 0.0660 37 H2 4.7250 2.2607 5.3505 H 1 noname 0.0631 38 H3 3.4828 2.6111 3.2273 H 1 noname 0.0629 39 H4 5.9372 2.0455 9.4376 H 1 noname 0.1766 40 H5 3.7350 1.4151 10.6511 H 1 noname 0.1028 41 H6 -0.8610 0.4802 2.7628 H 1 noname 0.0864 42 H7 -0.2180 2.8604 -1.3582 H 1 noname 0.0815 43 H8 1.9652 4.0693 -1.9461 H 1 noname 0.0670 44 H9 4.5860 3.3918 -2.0501 H 1 noname 0.0552 45 H10 6.6555 3.0042 -0.9037 H 1 noname 0.0594 46 H11 6.8937 4.8735 -1.0191 H 1 noname 0.0594 47 H12 4.0374 4.5805 -3.8435 H 1 noname 0.0627 48 H13 5.5323 6.5646 -0.3392 H 1 noname 0.0627 49 H14 3.8616 6.7646 -5.0050 H 1 noname 0.0650 50 H15 5.3565 8.7486 -1.5008 H 1 noname 0.0650 51 H16 3.0432 9.7110 -2.6498 H 1 noname 0.0535 52 H17 3.1660 10.6279 -4.1705 H 1 noname 0.0535 53 H18 2.4574 8.9951 -4.1705 H 1 noname 0.0535 @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 8 12 1 13 9 13 2 14 11 14 2 15 11 15 1 16 12 13 1 17 14 16 1 18 14 17 1 19 15 18 2 20 16 19 2 21 17 20 1 22 17 18 1 23 19 21 1 24 19 22 1 25 20 22 2 26 21 23 1 27 24 21 1 28 23 25 2 29 23 26 1 30 24 27 1 31 24 28 1 32 26 28 1 33 27 29 2 34 27 30 1 35 29 31 1 36 30 32 2 37 31 33 2 38 32 33 1 39 33 34 1 40 34 35 1 41 4 36 1 42 6 37 1 43 10 38 1 44 12 39 1 45 13 40 1 46 15 41 1 47 20 42 1 48 22 43 1 49 24 44 1 50 28 45 1 51 28 46 1 52 29 47 1 53 30 48 1 54 31 49 1 55 32 50 1 56 35 51 1 57 35 52 1 58 35 53 1 @SUBSTRUCTURE 1 noname 1