@MOLECULE 50305547 53 56 1 SMALL USER_CHARGES @ATOM 1 F1 2.6941 -3.8863 -0.0945 F 1 noname -0.1691 2 C1 2.0997 -2.7260 0.3300 C.3 1 noname 0.4059 3 F2 2.9280 -2.0855 1.2151 F 1 noname -0.1691 4 F3 0.9115 -3.0206 0.9473 F 1 noname -0.1691 5 C2 1.8381 -1.8173 -0.8728 C.3 1 noname 0.0410 6 N1 1.2268 -0.6241 -0.4362 N.3 1 noname 0.0415 7 N2 1.8370 0.4547 -0.0761 N.2 1 noname -0.2869 8 C3 -0.0926 -0.4085 -0.3213 C.2 1 noname 0.1089 9 C4 0.9601 1.4162 0.2835 C.2 1 noname 0.0366 10 N3 -1.1290 -1.2265 -0.6016 N.2 1 noname -0.2138 11 C5 -0.3145 0.8752 0.1522 C.2 1 noname 0.0131 12 C6 -2.4281 -0.8477 -0.4105 C.2 1 noname 0.0781 13 C7 -1.6555 1.3687 0.3455 C.2 1 noname 0.0480 14 N4 -2.6346 0.4397 0.0539 N.2 1 noname -0.2420 15 C8 -3.4990 -1.7765 -0.6507 C.2 1 noname -0.0185 16 C9 -2.0512 2.7168 0.6475 C.2 1 noname 0.0026 17 C10 -4.8863 -1.3700 -0.5129 C.2 1 noname -0.0119 18 C11 -3.2142 -3.1529 -0.9990 C.2 1 noname -0.0119 19 C12 -3.3521 3.1130 0.5465 C.2 1 noname -0.0350 20 C13 -1.0317 3.7691 0.8778 C.3 1 noname -0.0023 21 C14 -5.9403 -2.3032 -0.7228 C.2 1 noname -0.0223 22 C15 -4.2623 -4.0958 -1.2110 C.2 1 noname -0.0223 23 C16 -3.7456 4.5363 0.4455 C.3 1 noname 0.0655 24 C17 -1.2813 4.8720 -0.1974 C.3 1 noname 0.0512 25 C18 -5.6139 -3.6507 -1.0711 C.2 1 noname -0.0034 26 O1 -2.6731 5.3479 -0.1689 O.3 1 noname -0.3769 27 N5 -6.6081 -4.5261 -1.2733 N.3 1 noname -0.1342 28 C19 -6.4429 -5.5408 -2.1327 C.2 1 noname 0.0389 29 O2 -7.3703 -6.3574 -2.3213 O.2 1 noname -0.2745 30 N6 -5.2835 -5.6802 -2.7899 N.3 1 noname -0.0567 31 C20 -5.1096 -6.7479 -3.6942 C.3 1 noname 0.0325 32 C21 -3.7082 -6.6767 -4.3041 C.3 1 noname 0.1024 33 F4 -3.5392 -7.7149 -5.1834 F 1 noname -0.2495 34 H1 2.8004 -1.5143 -1.2854 H 1 noname 0.0585 35 H2 1.1000 -2.3028 -1.5112 H 1 noname 0.0585 36 H3 1.2260 2.4210 0.6118 H 1 noname 0.0864 37 H4 -5.1415 -0.3443 -0.2466 H 1 noname 0.0630 38 H5 -2.1825 -3.4884 -1.1046 H 1 noname 0.0630 39 H6 -4.0736 2.2960 0.5465 H 1 noname 0.0603 40 H7 -1.2414 4.1959 1.8586 H 1 noname 0.0340 41 H8 -0.0625 3.3121 0.6783 H 1 noname 0.0340 42 H9 -6.9794 -1.9912 -0.6186 H 1 noname 0.0639 43 H10 -4.0363 -5.1295 -1.4730 H 1 noname 0.0639 44 H11 -4.5911 4.5739 -0.2413 H 1 noname 0.0611 45 H12 -3.8573 4.8981 1.4677 H 1 noname 0.0611 46 H13 -0.6767 5.7367 0.0762 H 1 noname 0.0569 47 H14 -1.1568 4.4075 -1.1756 H 1 noname 0.0569 48 H15 -7.4820 -4.4210 -0.7779 H 1 noname 0.1384 49 H16 -4.5602 -4.9989 -2.6086 H 1 noname 0.1324 50 H17 -5.1710 -7.6520 -3.0883 H 1 noname 0.0460 51 H18 -5.8352 -6.5741 -4.4888 H 1 noname 0.0460 52 H19 -3.6406 -5.7778 -4.9169 H 1 noname 0.0637 53 H20 -2.9763 -6.8557 -3.5165 H 1 noname 0.0637 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 7 9 2 9 8 10 2 10 8 11 1 11 9 11 1 12 10 12 1 13 11 13 2 14 12 14 2 15 12 15 1 16 13 16 1 17 13 14 1 18 15 17 2 19 15 18 1 20 16 19 2 21 16 20 1 22 17 21 1 23 18 22 2 24 19 23 1 25 20 24 1 26 21 25 2 27 22 25 1 28 23 26 1 29 24 26 1 30 25 27 1 31 27 28 1 32 28 29 2 33 28 30 1 34 30 31 1 35 31 32 1 36 32 33 1 37 5 34 1 38 5 35 1 39 9 36 1 40 17 37 1 41 18 38 1 42 19 39 1 43 20 40 1 44 20 41 1 45 21 42 1 46 22 43 1 47 23 44 1 48 23 45 1 49 24 46 1 50 24 47 1 51 27 48 1 52 30 49 1 53 31 50 1 54 31 51 1 55 32 52 1 56 32 53 1 @SUBSTRUCTURE 1 noname 1