@MOLECULE 59215954 58 61 1 SMALL USER_CHARGES @ATOM 1 F1 -2.0942 -3.8857 -2.0909 F 1 noname -0.1655 2 O1 12.7863 2.5967 -3.4717 O.2 1 noname -0.2911 3 O2 7.2072 0.6702 -2.9614 O.2 1 noname -0.2943 4 O3 4.8222 -3.8265 -2.6183 O.2 1 noname -0.2753 5 N1 11.0047 2.0777 -2.2217 N.3 1 noname -0.0610 6 N2 7.6204 1.8910 -1.1554 N.3 1 noname -0.0734 7 N3 11.8909 0.5617 -3.9798 N.3 1 noname -0.0661 8 N4 4.0382 -0.1651 0.1260 N.3 1 noname -0.0493 9 N5 2.9841 -4.1713 -3.8471 N.3 1 noname -0.1350 10 C1 8.7972 2.4244 -1.7313 C.3 1 noname 0.0288 11 C2 9.5670 3.4377 -0.9017 C.3 1 noname -0.0226 12 C3 9.8601 1.3352 -1.8643 C.3 1 noname 0.0230 13 C4 11.0056 3.3085 -1.4671 C.3 1 noname 0.0087 14 C5 11.9016 1.7368 -3.2192 C.2 1 noname -0.0333 15 C6 6.8737 0.9673 -1.7892 C.2 1 noname 0.0178 16 C7 5.7374 0.3550 -1.1981 C.2 1 noname -0.0085 17 C8 4.9840 -0.6527 -1.8014 C.2 1 noname -0.0110 18 C9 5.1028 0.6316 0.0243 C.2 1 noname -0.0625 19 C10 3.9293 -0.9982 -0.9363 C.2 1 noname -0.1177 20 C11 5.2422 -1.1703 -3.1548 C.3 1 noname 0.0141 21 C12 2.8488 -1.8592 -1.1339 C.2 1 noname -0.0057 22 C13 12.2975 0.5060 -5.3331 C.3 1 noname -0.0048 23 C14 11.5177 -0.7260 -3.5195 C.3 1 noname -0.0048 24 C15 5.4382 1.6336 1.0508 C.3 1 noname 0.0148 25 C16 2.6968 -2.8789 -2.0173 C.2 1 noname 0.0512 26 C17 1.4800 -3.4015 -2.4119 C.2 1 noname 0.0045 27 C18 1.7036 -4.1685 -3.5603 C.2 1 noname -0.0030 28 C19 3.5967 -3.6130 -2.7954 C.2 1 noname 0.1009 29 C20 0.1628 -3.2637 -1.9117 C.2 1 noname 0.0207 30 C21 0.6786 -4.8395 -4.2204 C.2 1 noname -0.0133 31 C22 -0.8771 -3.9561 -2.5572 C.2 1 noname 0.0281 32 C23 -0.6189 -4.7435 -3.7039 C.2 1 noname 0.0071 33 H1 8.5254 2.8384 -2.7143 H 1 noname 0.0483 34 H2 9.1344 4.4232 -1.0594 H 1 noname 0.0296 35 H3 9.5208 3.1473 0.1527 H 1 noname 0.0296 36 H4 9.5205 0.6398 -2.6147 H 1 noname 0.0452 37 H5 10.0201 0.7927 -0.9258 H 1 noname 0.0452 38 H6 11.2244 4.1708 -2.1082 H 1 noname 0.0436 39 H7 11.7392 3.2347 -0.6562 H 1 noname 0.0436 40 H8 7.3446 2.1676 -0.2789 H 1 noname 0.1317 41 H9 3.4196 -0.1267 0.8712 H 1 noname 0.1524 42 H10 4.3258 -1.2909 -3.7163 H 1 noname 0.0280 43 H11 5.7547 -2.1298 -3.0852 H 1 noname 0.0280 44 H12 5.9469 -0.5082 -3.6579 H 1 noname 0.0280 45 H13 2.0267 -1.5976 -0.6248 H 1 noname 0.0650 46 H14 11.6704 1.1696 -5.9285 H 1 noname 0.0399 47 H15 12.1975 -0.5152 -5.7008 H 1 noname 0.0399 48 H16 13.3380 0.8208 -5.4131 H 1 noname 0.0399 49 H17 10.6724 -1.0898 -4.1036 H 1 noname 0.0399 50 H18 11.2350 -0.6683 -2.4683 H 1 noname 0.0399 51 H19 12.3588 -1.4101 -3.6325 H 1 noname 0.0399 52 H20 4.6164 2.3429 1.1483 H 1 noname 0.0293 53 H21 5.6027 1.1345 2.0057 H 1 noname 0.0293 54 H22 6.3438 2.1648 0.7578 H 1 noname 0.0293 55 H23 3.4218 -4.5931 -4.5895 H 1 noname 0.1374 56 H24 -0.0262 -2.6970 -1.0929 H 1 noname 0.0660 57 H25 0.8864 -5.4215 -5.0386 H 1 noname 0.0640 58 H26 -1.3795 -5.2569 -4.1581 H 1 noname 0.0653 @BOND 1 1 31 1 2 2 14 2 3 3 15 2 4 4 28 2 5 5 12 1 6 5 13 1 7 5 14 1 8 10 6 1 9 6 15 1 10 6 40 1 11 7 14 1 12 7 22 1 13 7 23 1 14 8 18 1 15 8 19 1 16 8 41 1 17 9 27 1 18 9 28 1 19 9 55 1 20 10 11 1 21 10 12 1 22 10 33 1 23 11 13 1 24 11 34 1 25 11 35 1 26 12 36 1 27 12 37 1 28 13 38 1 29 13 39 1 30 15 16 1 31 16 17 1 32 16 18 2 33 17 19 2 34 17 20 1 35 18 24 1 36 19 21 1 37 20 42 1 38 20 43 1 39 20 44 1 40 21 25 2 41 21 45 1 42 22 46 1 43 22 47 1 44 22 48 1 45 23 49 1 46 23 50 1 47 23 51 1 48 24 52 1 49 24 53 1 50 24 54 1 51 25 26 1 52 25 28 1 53 26 27 2 54 26 29 1 55 27 30 1 56 29 31 2 57 29 56 1 58 30 32 2 59 30 57 1 60 31 32 1 61 32 58 1 @SUBSTRUCTURE 1 noname 1