@MOLECULE 178346 74 78 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3599 2.2746 -7.5924 F 1 noname -0.1580 2 C1 0.8579 1.9673 -7.2529 C.2 1 noname 0.0539 3 C2 1.6581 1.2355 -8.1225 C.2 1 noname 0.0417 4 C3 1.3587 2.3706 -6.0206 C.2 1 noname 0.0296 5 N1 1.1753 0.8467 -9.3105 N.3 1 noname -0.1226 6 C4 2.9591 0.9071 -7.7598 C.2 1 noname -0.0114 7 C5 2.6597 2.0422 -5.6579 C.2 1 noname -0.0140 8 C6 2.0022 0.7027 -10.3552 C.2 1 noname 0.0405 9 C7 3.4599 1.3104 -6.5275 C.2 1 noname -0.0241 10 C8 3.1605 2.4455 -4.4256 C.2 1 noname 0.0740 11 O1 1.5518 0.3400 -11.4634 O.2 1 noname -0.2743 12 N2 3.3118 0.9476 -10.2118 N.3 1 noname -0.0567 13 N3 2.3511 2.6007 -3.3486 N.2 1 noname -0.2347 14 C9 4.5188 2.7088 -4.2415 C.2 1 noname 0.0430 15 C10 4.1818 0.7961 -11.3109 C.3 1 noname 0.0275 16 C11 2.7771 2.9953 -2.1109 C.2 1 noname 0.1041 17 C12 5.3533 2.5480 -5.4425 C.2 1 noname 0.0384 18 C13 5.0153 3.0688 -2.9651 C.2 1 noname 0.1077 19 C14 5.6105 1.1351 -10.8810 C.3 1 noname 0.0593 20 N4 4.1206 3.1961 -1.9314 N.2 1 noname -0.2059 21 N5 1.8254 3.1854 -1.1114 N.3 1 noname -0.0527 22 O2 5.3905 1.5110 -6.1395 O.2 1 noname -0.2883 23 N6 6.1379 3.7595 -5.7203 N.3 1 noname -0.0608 24 O3 6.3706 3.2258 -2.6555 O.3 1 noname -0.2253 25 O4 6.4867 0.9826 -11.9880 O.3 1 noname -0.3832 26 C15 0.5297 3.7614 -1.4968 C.3 1 noname 0.0325 27 C16 2.1165 2.7683 0.2686 C.3 1 noname 0.0325 28 C17 7.4024 3.5707 -5.0074 C.3 1 noname 0.0353 29 C18 5.7546 4.8664 -6.5051 C.3 1 noname 0.0034 30 C19 7.2593 4.0009 -3.5134 C.3 1 noname 0.0843 31 C20 7.8127 1.2972 -11.5890 C.3 1 noname 0.0356 32 C21 -0.2887 4.3223 -0.2728 C.3 1 noname 0.0713 33 C22 1.1378 3.4415 1.3126 C.3 1 noname 0.0713 34 C23 6.1796 4.6342 -7.9565 C.3 1 noname -0.0519 35 C24 8.6455 4.0820 -2.8710 C.3 1 noname -0.0342 36 C25 6.6223 5.3907 -3.5721 C.3 1 noname -0.0342 37 O5 0.6478 4.6919 0.7663 O.3 1 noname -0.3721 38 C26 -1.1343 3.2499 0.4378 C.3 1 noname -0.0229 39 C27 -0.1819 2.6686 1.5046 C.3 1 noname -0.0229 40 H1 0.7311 2.9444 -5.3386 H 1 noname 0.0660 41 H2 0.1882 0.6621 -9.4186 H 1 noname 0.1386 42 H3 3.5867 0.3333 -8.4418 H 1 noname 0.0640 43 H4 4.4802 1.0529 -6.2431 H 1 noname 0.0630 44 H5 3.6344 1.2384 -9.2999 H 1 noname 0.1324 45 H6 4.1455 -0.2636 -11.5637 H 1 noname 0.0457 46 H7 3.8600 1.5413 -12.0384 H 1 noname 0.0457 47 H8 5.6443 2.1946 -10.6273 H 1 noname 0.0579 48 H9 5.9298 0.3898 -10.1526 H 1 noname 0.0579 49 H10 0.7834 4.6096 -2.1326 H 1 noname 0.0462 50 H11 -0.0339 2.9229 -1.9060 H 1 noname 0.0462 51 H12 1.9243 1.6955 0.2829 H 1 noname 0.0462 52 H13 3.1196 3.1449 0.4688 H 1 noname 0.0462 53 H14 7.5875 2.4966 -5.0262 H 1 noname 0.0465 54 H15 8.1070 4.2535 -5.4823 H 1 noname 0.0465 55 H16 4.6654 4.8827 -6.4685 H 1 noname 0.0433 56 H17 6.3257 5.7086 -6.1145 H 1 noname 0.0433 57 H18 7.8710 1.3111 -10.5007 H 1 noname 0.0529 58 H19 8.4979 0.5451 -11.9801 H 1 noname 0.0529 59 H20 8.0869 2.2770 -11.9801 H 1 noname 0.0529 60 H21 -0.8918 5.1606 -0.6215 H 1 noname 0.0616 61 H22 1.6907 3.5718 2.2429 H 1 noname 0.0616 62 H23 6.2367 3.5632 -8.1514 H 1 noname 0.0243 63 H24 5.4484 5.0869 -8.6261 H 1 noname 0.0243 64 H25 7.1566 5.0869 -8.1259 H 1 noname 0.0243 65 H26 8.5440 4.0760 -1.7857 H 1 noname 0.0260 66 H27 9.2421 3.2254 -3.1848 H 1 noname 0.0260 67 H28 9.1381 5.0023 -3.1848 H 1 noname 0.0260 68 H29 6.4546 5.7567 -2.5592 H 1 noname 0.0260 69 H30 7.2883 6.0736 -4.0996 H 1 noname 0.0260 70 H31 5.6702 5.3320 -4.0996 H 1 noname 0.0260 71 H32 -1.9500 3.7552 0.9548 H 1 noname 0.0294 72 H33 -1.3514 2.4624 -0.2840 H 1 noname 0.0294 73 H34 0.0042 1.6247 1.2521 H 1 noname 0.0294 74 H35 -0.5805 2.9295 2.4850 H 1 noname 0.0294 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 2 14 10 14 1 15 12 15 1 16 13 16 1 17 14 17 1 18 14 18 2 19 15 19 1 20 16 20 2 21 16 21 1 22 17 22 2 23 17 23 1 24 18 24 1 25 18 20 1 26 19 25 1 27 21 26 1 28 21 27 1 29 23 28 1 30 23 29 1 31 24 30 1 32 25 31 1 33 26 32 1 34 27 33 1 35 28 30 1 36 29 34 1 37 30 35 1 38 30 36 1 39 32 37 1 40 32 38 1 41 33 39 1 42 33 37 1 43 38 39 1 44 4 40 1 45 5 41 1 46 6 42 1 47 9 43 1 48 12 44 1 49 15 45 1 50 15 46 1 51 19 47 1 52 19 48 1 53 26 49 1 54 26 50 1 55 27 51 1 56 27 52 1 57 28 53 1 58 28 54 1 59 29 55 1 60 29 56 1 61 31 57 1 62 31 58 1 63 31 59 1 64 32 60 1 65 33 61 1 66 34 62 1 67 34 63 1 68 34 64 1 69 35 65 1 70 35 66 1 71 35 67 1 72 36 68 1 73 36 69 1 74 36 70 1 75 38 71 1 76 38 72 1 77 39 73 1 78 39 74 1 @SUBSTRUCTURE 1 noname 1