@MOLECULE 56658042 45 48 1 SMALL USER_CHARGES @ATOM 1 F1 -2.2170 -0.9816 3.1851 F 1 noname -0.1635 2 O1 1.2235 2.4176 2.5517 O.2 1 noname -0.2999 3 N1 0.8217 0.7407 -1.0982 N.3 1 noname 0.0359 4 N2 -2.6542 -2.2280 0.7824 N.3 1 noname -0.1140 5 N3 -5.2950 -2.7157 1.7243 N.3 1 noname -0.3009 6 C1 0.7079 0.1512 -2.3740 C.3 1 noname -0.0155 7 C2 1.7533 -0.9565 -2.5191 C.3 1 noname -0.0458 8 C3 1.9888 0.4078 -3.1705 C.3 1 noname -0.0458 9 C4 0.0855 0.2125 -0.0633 C.2 1 noname -0.0090 10 C5 -3.7168 -2.1385 -0.2383 C.3 1 noname 0.0160 11 C6 -2.7887 -3.3037 1.7542 C.3 1 noname 0.0160 12 C7 1.6651 1.8192 -0.9455 C.2 1 noname -0.0493 13 C8 -5.1668 -2.5442 0.2414 C.3 1 noname 0.0114 14 C9 -4.1286 -3.1492 2.5459 C.3 1 noname 0.0114 15 C10 -1.6522 -1.2429 0.9046 C.2 1 noname 0.0342 16 C11 0.2127 0.8084 1.2434 C.2 1 noname -0.0314 17 C12 -0.8430 -0.8575 -0.2352 C.2 1 noname -0.0351 18 C13 -6.4432 -3.5716 2.0184 C.3 1 noname -0.0045 19 C14 -1.4774 -0.6051 2.1831 C.2 1 noname 0.0121 20 C15 1.8215 2.4268 0.3228 C.2 1 noname 0.0208 21 C16 -0.5272 0.4154 2.3778 C.2 1 noname 0.0286 22 C17 1.0912 1.9052 1.4192 C.2 1 noname 0.0615 23 C18 -7.7158 -2.9247 1.4679 C.3 1 noname -0.0524 24 H1 -0.1300 -0.5111 -2.5918 H 1 noname 0.0352 25 H2 1.7726 0.3434 -4.2369 H 1 noname 0.0273 26 H3 2.7451 1.0451 -2.7124 H 1 noname 0.0273 27 H4 1.4252 -1.6688 -3.2762 H 1 noname 0.0273 28 H5 2.5470 -1.1129 -1.7886 H 1 noname 0.0273 29 H6 -3.7397 -1.1301 -0.6515 H 1 noname 0.0448 30 H7 -3.4577 -2.7897 -1.0731 H 1 noname 0.0448 31 H8 -2.7807 -4.2633 1.2373 H 1 noname 0.0448 32 H9 -1.9696 -3.2844 2.4730 H 1 noname 0.0448 33 H10 -5.8847 -1.7991 -0.1015 H 1 noname 0.0444 34 H11 -5.4044 -3.5130 -0.1978 H 1 noname 0.0444 35 H12 -4.3654 -4.0883 3.0461 H 1 noname 0.0444 36 H13 -4.0246 -2.4074 3.3378 H 1 noname 0.0444 37 H14 2.1784 2.1810 -1.7492 H 1 noname 0.0627 38 H15 -0.9344 -1.3360 -1.1313 H 1 noname 0.0647 39 H16 -6.5365 -3.6964 3.0972 H 1 noname 0.0427 40 H17 -6.2994 -4.5458 1.5510 H 1 noname 0.0427 41 H18 2.4468 3.2233 0.4452 H 1 noname 0.0663 42 H19 -0.3817 0.8473 3.2903 H 1 noname 0.0661 43 H20 -8.5718 -3.5628 1.6872 H 1 noname 0.0243 44 H21 -7.8595 -1.9505 1.9353 H 1 noname 0.0243 45 H22 -7.6225 -2.7998 0.3891 H 1 noname 0.0243 @BOND 1 1 19 1 2 2 22 2 3 3 6 1 4 3 9 1 5 3 12 1 6 4 10 1 7 4 11 1 8 4 15 1 9 5 13 1 10 5 14 1 11 5 18 1 12 6 7 1 13 6 8 1 14 6 24 1 15 7 8 1 16 7 27 1 17 7 28 1 18 8 25 1 19 8 26 1 20 9 16 1 21 9 17 2 22 10 13 1 23 10 29 1 24 10 30 1 25 11 14 1 26 11 31 1 27 11 32 1 28 12 20 2 29 12 37 1 30 13 33 1 31 13 34 1 32 14 35 1 33 14 36 1 34 15 17 1 35 15 19 2 36 16 21 2 37 16 22 1 38 17 38 1 39 18 23 1 40 18 39 1 41 18 40 1 42 19 21 1 43 20 22 1 44 20 41 1 45 21 42 1 46 23 43 1 47 23 44 1 48 23 45 1 @SUBSTRUCTURE 1 noname 1