@MOLECULE 44 47 1 SMALL USER_CHARGES @ATOM 1 C1 1.2470 2.2129 -0.8103 C.3 1 noname -0.0214 2 C2 2.3152 1.2537 -0.2218 C.3 1 noname -0.0030 3 N1 1.8116 -0.1404 -0.1598 N.3 1 noname -0.3165 4 C3 0.5498 -0.2948 0.6064 C.3 1 noname -0.0030 5 C4 -0.5660 0.6211 0.0444 C.3 1 noname -0.0214 6 C5 -0.0875 2.1022 -0.0085 C.3 1 noname -0.0305 7 N2 -1.1294 2.9800 -0.5001 N.3 1 noname 0.0059 8 C6 -1.6300 2.9716 -1.7538 C.2 1 noname -0.0218 9 N3 -2.5469 3.9362 -1.9156 N.2 1 noname -0.2192 10 C7 -2.6667 4.5642 -0.7362 C.2 1 noname 0.0515 11 C8 -1.7789 3.9667 0.1664 C.2 1 noname -0.0366 12 C9 -1.6196 4.3565 1.5161 C.2 1 noname 0.0354 13 N4 -1.2906 5.6466 1.7958 N.2 1 noname -0.2249 14 C10 -1.1676 6.0995 3.0688 C.2 1 noname 0.0869 15 N5 -1.3841 5.2501 4.1060 N.2 1 noname -0.2418 16 C11 -1.7237 3.9518 3.8951 C.2 1 noname 0.0135 17 C12 -1.8474 3.4617 2.5834 C.2 1 noname -0.0180 18 N6 -0.8410 7.3831 3.2875 N.3 1 noname -0.0797 19 C13 -3.5749 5.6212 -0.4910 C.2 1 noname -0.0307 20 C14 -3.5965 6.7533 -1.3367 C.2 1 noname -0.0123 21 C15 -4.5019 7.8047 -1.0960 C.2 1 noname 0.0011 22 C16 -5.3985 7.7334 -0.0132 C.2 1 noname 0.0353 23 C17 -5.3792 6.6140 0.8386 C.2 1 noname 0.0011 24 C18 -4.4728 5.5648 0.6012 C.2 1 noname -0.0123 25 F1 -6.2443 8.7031 0.2051 F 1 noname -0.1643 26 H1 1.6217 3.2247 -0.6555 H 1 noname 0.0298 27 H2 1.0359 1.8584 -1.8192 H 1 noname 0.0298 28 H3 3.1500 1.2325 -0.9223 H 1 noname 0.0428 29 H4 2.4801 1.5516 0.8137 H 1 noname 0.0428 30 H5 2.2857 -0.9158 -0.6003 H 1 noname 0.1222 31 H6 0.2324 -1.3248 0.4441 H 1 noname 0.0428 32 H7 0.7744 0.0539 1.6144 H 1 noname 0.0428 33 H8 -0.7301 0.3096 -0.9872 H 1 noname 0.0298 34 H9 -1.3858 0.5839 0.7618 H 1 noname 0.0298 35 H10 0.0629 2.5005 0.9949 H 1 noname 0.0510 36 H11 -1.3316 2.2741 -2.5365 H 1 noname 0.1015 37 H12 -1.8940 3.3146 4.7629 H 1 noname 0.0841 38 H13 -2.1117 2.4203 2.3997 H 1 noname 0.0662 39 H14 0.1296 7.6502 3.3697 H 1 noname 0.1273 40 H15 -1.5657 8.0816 3.3697 H 1 noname 0.1273 41 H16 -2.9097 6.8160 -2.1808 H 1 noname 0.0630 42 H17 -4.5087 8.6765 -1.7501 H 1 noname 0.0653 43 H18 -6.0666 6.5595 1.6828 H 1 noname 0.0653 44 H19 -4.4662 4.7025 1.2678 H 1 noname 0.0630 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 1 9 8 9 2 10 9 10 1 11 10 11 2 12 7 11 1 13 11 12 1 14 12 13 2 15 13 14 1 16 14 15 2 17 15 16 1 18 16 17 2 19 12 17 1 20 14 18 1 21 10 19 1 22 19 20 2 23 20 21 1 24 21 22 2 25 22 23 1 26 23 24 2 27 19 24 1 28 22 25 1 29 1 26 1 30 1 27 1 31 2 28 1 32 2 29 1 33 3 30 1 34 4 31 1 35 4 32 1 36 5 33 1 37 5 34 1 38 6 35 1 39 8 36 1 40 16 37 1 41 17 38 1 42 18 39 1 43 18 40 1 44 20 41 1 45 21 42 1 46 23 43 1 47 24 44 1 @SUBSTRUCTURE 1 noname 1