@MOLECULE 136503 50 55 1 SMALL USER_CHARGES @ATOM 1 F1 0.6502 -6.2302 5.1736 F 1 noname -0.1655 2 C1 0.5450 -5.7493 3.9693 C.2 1 noname 0.0232 3 C2 1.6963 -5.1387 3.3701 C.2 1 noname -0.0057 4 C3 -0.7159 -5.8518 3.2971 C.2 1 noname -0.0057 5 C4 1.5930 -4.6441 2.0370 C.2 1 noname -0.0349 6 C5 -0.8151 -5.3494 1.9668 C.2 1 noname -0.0349 7 C6 0.3544 -4.7853 1.3233 C.2 1 noname -0.0485 8 C7 0.4192 -4.3735 -0.1015 C.3 1 noname 0.0750 9 N1 -0.5436 -3.4786 -0.6539 N.3 1 noname -0.0678 10 C8 0.2878 -5.5976 -1.0299 C.3 1 noname 0.0785 11 C9 -1.0585 -2.3178 -0.0537 C.2 1 noname 0.0803 12 C10 -0.9387 -4.0697 -1.9039 C.2 1 noname 0.1411 13 O1 -0.9930 -5.4632 -1.6236 O.3 1 noname -0.1844 14 N2 -0.9983 -2.1335 1.3234 N.2 1 noname -0.1909 15 C11 -1.7263 -1.3242 -0.8341 C.2 1 noname 0.0220 16 O2 -1.1788 -3.4925 -2.9863 O.2 1 noname -0.2290 17 C12 -1.6304 -1.0768 1.9613 C.2 1 noname 0.0184 18 C13 -2.3650 -0.2364 -0.1918 C.2 1 noname -0.0350 19 N3 -2.3015 -0.1802 1.1763 N.3 1 noname -0.0590 20 C14 -1.8001 -0.6706 3.3250 C.2 1 noname 0.0611 21 N4 -2.8779 0.7234 1.9052 N.2 1 noname -0.2970 22 C15 -1.3037 -1.2125 4.5964 C.2 1 noname -0.0243 23 C16 -2.6128 0.4702 3.2021 C.2 1 noname 0.0444 24 C17 -1.7431 -0.7977 5.9280 C.2 1 noname -0.0267 25 C18 -0.3002 -2.2207 4.4876 C.2 1 noname -0.0267 26 C19 -1.2710 -1.4906 7.1000 C.2 1 noname -0.0243 27 C20 0.1515 -2.9041 5.6542 C.2 1 noname -0.0243 28 C21 -0.3944 -2.6310 6.9498 C.2 1 noname -0.0174 29 C22 -0.1457 -3.6514 7.9621 C.2 1 noname 0.0305 30 N5 0.6868 -4.6980 7.7516 N.2 1 noname -0.3101 31 C23 -0.7160 -3.8843 9.2242 C.2 1 noname 0.0050 32 N6 0.6690 -5.5352 8.7342 N.3 1 noname -0.0359 33 C24 -0.1741 -5.0906 9.6712 C.2 1 noname -0.0748 34 H1 2.6342 -5.0519 3.9187 H 1 noname 0.0653 35 H2 -1.5798 -6.3015 3.7866 H 1 noname 0.0653 36 H3 2.4517 -4.1632 1.5684 H 1 noname 0.0627 37 H4 -1.7727 -5.3961 1.4484 H 1 noname 0.0627 38 H5 1.3368 -3.7870 -0.0570 H 1 noname 0.0552 39 H6 1.0138 -5.5105 -1.8383 H 1 noname 0.0594 40 H7 0.2537 -6.5024 -0.4231 H 1 noname 0.0594 41 H8 -1.7486 -1.3963 -1.9214 H 1 noname 0.0670 42 H9 -2.8953 0.5424 -0.7398 H 1 noname 0.0815 43 H10 -2.9930 1.0862 4.0170 H 1 noname 0.0864 44 H11 -2.4314 0.0389 6.0485 H 1 noname 0.0629 45 H12 0.1211 -2.4688 3.5134 H 1 noname 0.0629 46 H13 -1.5744 -1.1550 8.0917 H 1 noname 0.0629 47 H14 0.9348 -3.6553 5.5529 H 1 noname 0.0629 48 H15 -1.4342 -3.2558 9.7506 H 1 noname 0.0659 49 H16 1.2154 -6.3841 8.7644 H 1 noname 0.1747 50 H17 -0.3782 -5.6068 10.6093 H 1 noname 0.0806 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 8 7 1 9 8 9 1 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 1 14 11 14 2 15 11 15 1 16 12 16 2 17 12 13 1 18 14 17 1 19 15 18 2 20 17 19 1 21 17 20 2 22 18 19 1 23 19 21 1 24 20 22 1 25 20 23 1 26 21 23 2 27 22 24 2 28 22 25 1 29 24 26 1 30 25 27 2 31 26 28 2 32 27 28 1 33 28 29 1 34 29 30 2 35 29 31 1 36 30 32 1 37 31 33 2 38 32 33 1 39 3 34 1 40 4 35 1 41 5 36 1 42 6 37 1 43 8 38 1 44 10 39 1 45 10 40 1 46 15 41 1 47 18 42 1 48 23 43 1 49 24 44 1 50 25 45 1 51 26 46 1 52 27 47 1 53 31 48 1 54 32 49 1 55 33 50 1 @SUBSTRUCTURE 1 noname 1