@MOLECULE 71816315 44 45 1 SMALL USER_CHARGES @ATOM 1 F1 -0.5039 -11.2133 -9.0340 F 1 noname -0.2484 2 O1 1.9759 -7.0034 -2.2294 O.3 1 noname -0.1994 3 O2 0.7530 -9.7569 -5.9883 O.3 1 noname -0.3785 4 N1 1.8757 -5.8511 -1.7171 N.2 1 noname -0.2060 5 N2 1.6519 0.0402 2.6195 N.2 1 noname -0.2390 6 C1 4.6522 -6.0315 0.7433 C.3 1 noname -0.0429 7 C2 3.2717 -6.5978 0.2580 C.3 1 noname -0.0077 8 C3 4.7739 -4.4671 0.7938 C.3 1 noname -0.0194 9 C4 2.4344 -5.5997 -0.5990 C.2 1 noname 0.0470 10 C5 3.4680 -3.7820 0.7571 C.2 1 noname -0.0179 11 C6 2.4068 -4.3259 0.1117 C.2 1 noname 0.0106 12 C7 1.3960 -8.4290 -4.0833 C.3 1 noname -0.0033 13 C8 1.2747 -7.0353 -3.4637 C.3 1 noname 0.0794 14 C9 0.6405 -8.4634 -5.4133 C.3 1 noname 0.0491 15 C10 3.3025 -2.6768 1.3716 C.1 1 noname -0.0292 16 C11 0.0518 -9.7888 -7.2227 C.3 1 noname 0.0751 17 C12 3.1072 -1.6456 1.9461 C.1 1 noname -0.0019 18 C13 0.1731 -11.1825 -7.8423 C.3 1 noname 0.1128 19 C14 2.9149 -0.5178 2.5791 C.2 1 noname 0.0331 20 C15 4.0160 0.1203 3.2181 C.2 1 noname -0.0096 21 C16 3.7312 1.3464 3.8869 C.2 1 noname -0.0377 22 C17 1.3449 1.2242 3.2579 C.2 1 noname 0.0000 23 C18 2.4142 1.8976 3.9108 C.2 1 noname -0.0359 24 H1 4.8911 -6.4463 1.7226 H 1 noname 0.0274 25 H2 5.4274 -6.3629 0.0524 H 1 noname 0.0274 26 H3 2.6861 -6.9161 1.1205 H 1 noname 0.0333 27 H4 3.4005 -7.5322 -0.2883 H 1 noname 0.0333 28 H5 5.3131 -4.1735 1.6945 H 1 noname 0.0322 29 H6 5.3501 -4.0859 -0.0492 H 1 noname 0.0322 30 H7 1.5538 -3.8236 0.1234 H 1 noname 0.0652 31 H8 0.9695 -9.1670 -3.4040 H 1 noname 0.0314 32 H9 2.4472 -8.6594 -4.2565 H 1 noname 0.0314 33 H10 0.2235 -6.8050 -3.2905 H 1 noname 0.0595 34 H11 1.7013 -6.2973 -4.1431 H 1 noname 0.0595 35 H12 -0.4107 -8.2330 -5.2401 H 1 noname 0.0567 36 H13 1.0670 -7.7254 -6.0927 H 1 noname 0.0567 37 H14 -0.9994 -9.5584 -7.0495 H 1 noname 0.0593 38 H15 0.4783 -9.0508 -7.9020 H 1 noname 0.0593 39 H16 -0.2535 -11.9205 -7.1629 H 1 noname 0.0648 40 H17 1.2243 -11.4128 -8.0155 H 1 noname 0.0648 41 H18 4.9551 -0.2774 3.1984 H 1 noname 0.0652 42 H19 4.4867 1.8421 4.3601 H 1 noname 0.0624 43 H20 0.3962 1.5988 3.2615 H 1 noname 0.0839 44 H21 2.2398 2.7769 4.3974 H 1 noname 0.0638 @BOND 1 1 18 1 2 2 4 1 3 2 13 1 4 3 14 1 5 3 16 1 6 4 9 2 7 5 19 1 8 5 22 2 9 6 7 1 10 6 8 1 11 6 24 1 12 6 25 1 13 7 9 1 14 7 26 1 15 7 27 1 16 8 10 1 17 8 28 1 18 8 29 1 19 9 11 1 20 10 11 2 21 10 15 1 22 11 30 1 23 12 13 1 24 12 14 1 25 12 31 1 26 12 32 1 27 13 33 1 28 13 34 1 29 14 35 1 30 14 36 1 31 15 17 3 32 16 18 1 33 16 37 1 34 16 38 1 35 17 19 1 36 18 39 1 37 18 40 1 38 19 20 2 39 20 21 1 40 20 41 1 41 21 23 2 42 21 42 1 43 22 23 1 44 22 43 1 45 23 44 1 @SUBSTRUCTURE 1 noname 1