@MOLECULE 72941836 45 46 1 SMALL USER_CHARGES @ATOM 1 F1 -6.9350 -0.3053 0.2066 F 1 noname -0.1675 2 O1 -7.5964 5.6593 2.7866 O.3 1 noname -0.2210 3 O2 -5.5139 6.2713 2.5409 O.2 1 noname -0.2621 4 N1 0.4850 1.5381 -0.8471 N.3 1 noname -0.1449 5 C1 0.1973 -1.2684 -0.1049 C.3 1 noname 0.0097 6 C2 1.6239 -0.6532 -0.2090 C.3 1 noname -0.0361 7 C3 -0.9410 -0.3425 -0.3303 C.2 1 noname -0.0601 8 C4 1.7027 0.8649 -0.5454 C.3 1 noname 0.0003 9 C5 -0.7464 1.0011 -0.6840 C.2 1 noname -0.0314 10 C6 -2.2603 -0.8351 -0.2135 C.2 1 noname -0.0478 11 C7 -3.4024 -0.0478 -0.5245 C.2 1 noname -0.0733 12 C8 -1.8494 1.8275 -0.9372 C.2 1 noname -0.0651 13 C9 -3.1410 1.2764 -0.9857 C.2 1 noname -0.0520 14 C10 -4.7279 -0.5390 -0.3618 C.2 1 noname 0.0042 15 C11 -5.0510 -1.9355 -0.7798 C.3 1 noname -0.0272 16 C12 -5.7504 0.2107 0.1381 C.2 1 noname 0.0094 17 C13 -5.4759 -1.9692 -2.2626 C.3 1 noname -0.0612 18 C14 -5.7370 1.5143 0.5392 C.2 1 noname -0.0010 19 C15 -4.8217 2.1088 1.3298 C.2 1 noname -0.0309 20 C16 -4.8465 3.4533 1.6873 C.2 1 noname -0.0125 21 C17 -3.5153 4.0902 1.7051 C.3 1 noname -0.0395 22 C18 -6.0222 4.0581 2.0023 C.2 1 noname 0.0589 23 C19 -6.3350 5.3424 2.4174 C.2 1 noname 0.0919 24 H1 0.0989 -2.0427 -0.8743 H 1 noname 0.0317 25 H2 0.0835 -1.7419 0.8816 H 1 noname 0.0317 26 H3 2.1631 -1.1953 -0.9920 H 1 noname 0.0283 27 H4 2.1418 -0.8338 0.7450 H 1 noname 0.0283 28 H5 2.3313 0.9848 -1.4251 H 1 noname 0.0432 29 H6 2.1586 1.4057 0.2834 H 1 noname 0.0432 30 H7 0.5410 2.4379 -1.2159 H 1 noname 0.1281 31 H8 -2.3798 -1.8046 0.0871 H 1 noname 0.0632 32 H9 -1.7190 2.8342 -1.0766 H 1 noname 0.0639 33 H10 -3.8924 1.8738 -1.3398 H 1 noname 0.0629 34 H11 -5.8469 -2.3613 -0.1586 H 1 noname 0.0314 35 H12 -4.2338 -2.6395 -0.6491 H 1 noname 0.0314 36 H13 -5.6903 -3.0026 -2.5336 H 1 noname 0.0234 37 H14 -6.3722 -1.3658 -2.4378 H 1 noname 0.0234 38 H15 -4.6671 -1.6011 -2.9001 H 1 noname 0.0234 39 H16 -6.4845 2.0724 0.1963 H 1 noname 0.0653 40 H17 -4.0644 1.5453 1.6473 H 1 noname 0.0626 41 H18 -3.4585 5.1403 2.0193 H 1 noname 0.0279 42 H19 -3.0455 3.9774 0.7280 H 1 noname 0.0279 43 H20 -2.8839 3.4807 2.3516 H 1 noname 0.0279 44 H21 -6.8206 3.5000 1.9691 H 1 noname 0.0689 45 H22 -7.8005 6.5520 3.0956 H 1 noname 0.2216 @BOND 1 1 16 1 2 2 23 1 3 2 45 1 4 3 23 2 5 4 8 1 6 4 9 1 7 4 30 1 8 5 6 1 9 5 7 1 10 5 24 1 11 5 25 1 12 6 8 1 13 6 26 1 14 6 27 1 15 7 9 2 16 7 10 1 17 8 28 1 18 8 29 1 19 9 12 1 20 10 11 2 21 10 31 1 22 11 13 1 23 11 14 1 24 12 13 2 25 12 32 1 26 13 33 1 27 14 15 1 28 14 16 2 29 15 17 1 30 15 34 1 31 15 35 1 32 16 18 1 33 17 36 1 34 17 37 1 35 17 38 1 36 18 19 2 37 18 39 1 38 19 20 1 39 19 40 1 40 20 21 1 41 20 22 2 42 21 41 1 43 21 42 1 44 21 43 1 45 22 23 1 46 22 44 1 @SUBSTRUCTURE 1 noname 1