@MOLECULE 172275 40 42 1 SMALL USER_CHARGES @ATOM 1 F1 3.5520 1.3256 -0.3147 F 1 noname -0.1650 2 C1 2.2619 1.3147 -0.1471 C.2 1 noname 0.0275 3 C2 1.5139 0.0877 -0.1748 C.2 1 noname 0.0076 4 C3 1.5293 2.5229 0.0723 C.2 1 noname -0.0053 5 C4 0.0726 0.0394 0.0087 C.2 1 noname -0.0232 6 C5 0.1202 2.5598 0.2604 C.2 1 noname -0.0403 7 C6 -0.7199 -1.2220 -0.0168 C.2 1 noname -0.0058 8 C7 -0.5706 1.3225 0.2241 C.2 1 noname -0.0474 9 C8 -2.1726 -1.3057 0.1657 C.2 1 noname 0.0117 10 C9 -0.0326 -2.4806 -0.2355 C.2 1 noname -0.0224 11 C10 -2.9601 -0.2916 0.3736 C.1 1 noname -0.0198 12 C11 -2.8779 -2.5391 0.1307 C.2 1 noname 0.0201 13 C12 -0.7709 -3.6875 -0.2624 C.2 1 noname -0.0098 14 C13 -3.5544 0.7309 0.5513 C.1 1 noname -0.0302 15 N1 -2.1315 -3.6638 -0.0822 N.2 1 noname -0.2611 16 C14 -4.3252 -2.6013 0.3127 C.3 1 noname 0.0381 17 C15 -4.0758 1.8978 0.7256 C.2 1 noname -0.0362 18 C16 -4.5462 2.6455 -0.3872 C.2 1 noname 0.0136 19 C17 -4.2468 2.4255 2.0448 C.2 1 noname -0.0279 20 N2 -5.2120 3.8211 -0.1271 N.2 1 noname -0.2744 21 C18 -4.3312 2.1837 -1.7554 C.3 1 noname 0.0383 22 C19 -4.9394 3.6477 2.2918 C.2 1 noname -0.0443 23 C20 -5.4281 4.3218 1.1436 C.2 1 noname 0.0140 24 N3 -6.1117 5.4646 1.2929 N.3 1 noname -0.1210 25 H1 2.0602 -0.8408 -0.3413 H 1 noname 0.0659 26 H2 2.0744 3.4665 0.0976 H 1 noname 0.0653 27 H3 -0.4090 3.4984 0.4256 H 1 noname 0.0623 28 H4 -1.6503 1.3596 0.3690 H 1 noname 0.0629 29 H5 1.0470 -2.5198 -0.3808 H 1 noname 0.0645 30 H6 -0.2846 -4.6495 -0.4242 H 1 noname 0.0839 31 H7 -4.5574 -2.6113 1.3776 H 1 noname 0.0296 32 H8 -4.7876 -1.7304 -0.1518 H 1 noname 0.0296 33 H9 -4.7112 -3.5087 -0.1518 H 1 noname 0.0296 34 H10 -3.8348 1.8769 2.8918 H 1 noname 0.0637 35 H11 -4.3282 1.0939 -1.7748 H 1 noname 0.0296 36 H12 -5.1317 2.5562 -2.3947 H 1 noname 0.0296 37 H13 -3.3733 2.5562 -2.1183 H 1 noname 0.0296 38 H14 -5.0862 4.0426 3.2971 H 1 noname 0.0656 39 H15 -5.6187 6.3443 1.3491 H 1 noname 0.1257 40 H16 -7.1200 5.4463 1.3491 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 8 1 9 7 9 2 10 7 10 1 11 9 11 1 12 9 12 1 13 10 13 2 14 11 14 3 15 12 15 2 16 12 16 1 17 13 15 1 18 14 17 1 19 17 18 2 20 17 19 1 21 18 20 1 22 18 21 1 23 19 22 2 24 20 23 2 25 22 23 1 26 23 24 1 27 3 25 1 28 4 26 1 29 6 27 1 30 8 28 1 31 10 29 1 32 13 30 1 33 16 31 1 34 16 32 1 35 16 33 1 36 19 34 1 37 21 35 1 38 21 36 1 39 21 37 1 40 22 38 1 41 24 39 1 42 24 40 1 @SUBSTRUCTURE 1 noname 1