@MOLECULE 71587773 68 71 1 SMALL USER_CHARGES @ATOM 1 F1 -5.6943 0.0848 -1.8911 F 1 noname -0.1660 2 F2 -6.2118 1.4815 -0.2213 F 1 noname -0.1660 3 F3 -7.5200 1.3199 -1.9917 F 1 noname -0.1660 4 O1 4.9571 2.7618 2.8122 O.3 1 noname -0.3785 5 O2 5.0365 5.2703 1.2693 O.3 1 noname -0.3773 6 N1 2.6877 4.4925 0.0374 N.3 1 noname -0.3084 7 N2 -1.2147 4.9348 -2.6405 N.3 1 noname -0.2980 8 N3 -5.0941 4.2532 -3.7060 N.2 1 noname -0.2485 9 C1 0.9515 6.2427 -2.3460 C.3 1 noname -0.0131 10 C2 2.2755 5.6297 -1.9123 C.3 1 noname -0.0306 11 C3 0.3413 6.8969 -1.0817 C.3 1 noname -0.0446 12 C4 2.4705 5.8658 -0.4407 C.3 1 noname 0.0078 13 C5 1.2390 6.5783 0.1122 C.3 1 noname -0.0371 14 C6 1.0562 7.2482 -3.5706 C.3 1 noname -0.0401 15 C7 0.2334 4.8979 -2.6004 C.3 1 noname 0.0045 16 C8 2.7492 4.1792 1.4670 C.3 1 noname 0.0378 17 C9 1.6706 6.7319 -4.8917 C.3 1 noname -0.0622 18 C10 1.8071 8.5816 -3.3427 C.3 1 noname -0.0622 19 C11 -1.5538 5.2554 -4.0468 C.3 1 noname 0.0041 20 C12 -1.7326 3.6207 -2.1580 C.3 1 noname 0.0252 21 C13 3.9322 4.9453 2.1802 C.3 1 noname 0.0959 22 C14 2.7481 2.6299 1.5325 C.3 1 noname -0.0115 23 C15 -3.0728 5.4468 -4.1674 C.3 1 noname 0.0489 24 C16 -3.1840 3.4911 -2.4747 C.2 1 noname -0.0092 25 C17 4.5611 4.0707 3.2953 C.3 1 noname 0.0745 26 C18 4.1733 2.0804 1.7898 C.3 1 noname 0.0484 27 C19 -3.7800 4.3734 -3.4224 C.2 1 noname 0.0116 28 C20 -3.9899 2.4942 -1.8816 C.2 1 noname -0.0007 29 C21 -5.3629 2.3847 -2.2120 C.2 1 noname 0.0163 30 C22 5.4890 6.6416 1.1489 C.3 1 noname 0.0361 31 C23 -5.8863 3.3100 -3.1467 C.2 1 noname 0.0299 32 C24 -6.2050 1.3241 -1.5866 C.3 1 noname 0.4176 33 H1 2.2615 4.5578 -2.1096 H 1 noname 0.0288 34 H2 3.1144 6.0871 -2.4368 H 1 noname 0.0288 35 H3 -0.6545 6.4897 -0.9065 H 1 noname 0.0273 36 H4 0.3427 7.9773 -1.2264 H 1 noname 0.0273 37 H5 3.3307 6.5143 -0.4017 H 1 noname 0.0465 38 H6 0.7114 5.9138 0.7964 H 1 noname 0.0282 39 H7 1.4940 7.5132 0.6113 H 1 noname 0.0282 40 H8 0.0310 7.5523 -3.7817 H 1 noname 0.0303 41 H9 0.5578 4.1669 -1.8598 H 1 noname 0.0436 42 H10 0.5962 4.5182 -3.5555 H 1 noname 0.0436 43 H11 3.5011 4.0922 -0.4344 H 1 noname 0.1228 44 H12 1.7976 4.4670 1.8992 H 1 noname 0.0493 45 H13 1.6722 7.5342 -5.6296 H 1 noname 0.0233 46 H14 1.0792 5.8959 -5.2652 H 1 noname 0.0233 47 H15 2.6937 6.4015 -4.7120 H 1 noname 0.0233 48 H16 1.7985 9.1653 -4.2632 H 1 noname 0.0233 49 H17 1.3143 9.1453 -2.5505 H 1 noname 0.0233 50 H18 2.8373 8.3737 -3.0539 H 1 noname 0.0233 51 H19 -1.2384 4.4359 -4.6925 H 1 noname 0.0434 52 H20 -1.0436 6.1587 -4.3813 H 1 noname 0.0434 53 H21 -1.5879 3.5468 -1.0801 H 1 noname 0.0481 54 H22 -1.1927 2.7754 -2.5846 H 1 noname 0.0481 55 H23 3.5146 5.8262 2.6841 H 1 noname 0.0643 56 H24 2.0822 2.3004 2.3300 H 1 noname 0.0307 57 H25 2.3315 2.2064 0.6186 H 1 noname 0.0307 58 H26 -3.3613 5.4106 -5.2179 H 1 noname 0.0345 59 H27 -3.4089 6.4029 -3.7662 H 1 noname 0.0345 60 H28 3.8488 3.9563 4.1124 H 1 noname 0.0594 61 H29 5.4145 4.5827 3.7399 H 1 noname 0.0594 62 H30 4.1159 1.0174 2.0242 H 1 noname 0.0566 63 H31 4.7154 2.2411 0.8579 H 1 noname 0.0566 64 H32 -3.5778 1.8400 -1.2051 H 1 noname 0.0633 65 H33 6.3095 6.6920 0.4331 H 1 noname 0.0529 66 H34 4.6659 7.2667 0.8027 H 1 noname 0.0529 67 H35 5.8320 6.9976 2.1204 H 1 noname 0.0529 68 H36 -6.8634 3.2938 -3.4299 H 1 noname 0.0845 @BOND 1 1 32 1 2 2 32 1 3 3 32 1 4 4 25 1 5 4 26 1 6 21 5 1 7 5 30 1 8 12 6 1 9 16 6 1 10 6 43 1 11 7 15 1 12 7 19 1 13 7 20 1 14 8 27 1 15 8 31 2 16 9 10 1 17 9 11 1 18 9 14 1 19 9 15 1 20 10 12 1 21 10 33 1 22 10 34 1 23 11 13 1 24 11 35 1 25 11 36 1 26 12 13 1 27 12 37 1 28 13 38 1 29 13 39 1 30 14 17 1 31 14 18 1 32 14 40 1 33 15 41 1 34 15 42 1 35 16 21 1 36 16 22 1 37 16 44 1 38 17 45 1 39 17 46 1 40 17 47 1 41 18 48 1 42 18 49 1 43 18 50 1 44 19 23 1 45 19 51 1 46 19 52 1 47 20 24 1 48 20 53 1 49 20 54 1 50 21 25 1 51 21 55 1 52 22 26 1 53 22 56 1 54 22 57 1 55 23 27 1 56 23 58 1 57 23 59 1 58 24 27 2 59 24 28 1 60 25 60 1 61 25 61 1 62 26 62 1 63 26 63 1 64 28 29 2 65 28 64 1 66 29 31 1 67 29 32 1 68 30 65 1 69 30 66 1 70 30 67 1 71 31 68 1 @SUBSTRUCTURE 1 noname 1