@MOLECULE 118796566 51 54 1 SMALL USER_CHARGES @ATOM 1 F1 5.1068 -4.8567 -3.7650 F 1 noname -0.2509 2 O1 -0.3111 4.1945 -0.0555 O.2 1 noname -0.2752 3 N1 1.4392 0.0350 0.1644 N.3 1 noname -0.0238 4 N2 1.9302 4.2218 0.0391 N.3 1 noname -0.1350 5 C1 2.2784 -1.0966 0.2223 C.3 1 noname -0.0529 6 C2 2.6261 -1.5470 -1.1979 C.3 1 noname -0.0369 7 C3 0.0995 0.0109 0.1240 C.2 1 noname -0.0719 8 C4 -0.3584 1.3420 0.0453 C.2 1 noname -0.0114 9 C5 3.5368 -2.7748 -1.1350 C.3 1 noname -0.0493 10 C6 0.7515 2.1724 0.0627 C.2 1 noname 0.0077 11 C7 1.8533 1.3186 0.1404 C.2 1 noname -0.0521 12 C8 3.8845 -3.2252 -2.5553 C.3 1 noname -0.0245 13 C9 -0.7987 -1.0877 0.2386 C.2 1 noname -0.0414 14 C10 -1.7437 1.6611 0.0325 C.2 1 noname -0.0336 15 C11 0.7645 3.5614 0.0132 C.2 1 noname 0.0945 16 C12 -2.2015 -0.7834 0.2849 C.2 1 noname -0.0508 17 C13 -2.6668 0.5708 0.1678 C.2 1 noname -0.0531 18 C14 4.7952 -4.4531 -2.4923 C.3 1 noname 0.0895 19 C15 1.9428 5.5609 -0.0086 C.2 1 noname -0.0091 20 C16 3.1520 6.2460 0.0182 C.2 1 noname -0.0217 21 C17 3.1651 7.6350 -0.0313 C.2 1 noname -0.0355 22 C18 0.7467 6.2649 -0.0850 C.2 1 noname -0.0317 23 C19 4.3481 5.5420 0.0946 C.2 1 noname -0.0401 24 C20 1.9690 8.3390 -0.1076 C.2 1 noname -0.0484 25 C21 0.7598 7.6540 -0.1345 C.2 1 noname -0.0493 26 C22 4.3742 8.3201 -0.0044 C.2 1 noname -0.0463 27 C23 5.5573 6.2270 0.1215 C.2 1 noname -0.0554 28 C24 5.5703 7.6161 0.0720 C.2 1 noname -0.0566 29 H1 1.7643 -1.9039 0.7439 H 1 noname 0.0472 30 H2 3.1936 -0.8432 0.7574 H 1 noname 0.0472 31 H3 1.7110 -1.8004 -1.7330 H 1 noname 0.0283 32 H4 3.1403 -0.7397 -1.7195 H 1 noname 0.0283 33 H5 3.0227 -3.5822 -0.6134 H 1 noname 0.0268 34 H6 4.4520 -2.5214 -0.5999 H 1 noname 0.0268 35 H7 2.8269 1.6207 0.1742 H 1 noname 0.0799 36 H8 2.9694 -3.4787 -3.0904 H 1 noname 0.0293 37 H9 4.3986 -2.4179 -3.0768 H 1 noname 0.0293 38 H10 -0.4607 -2.0489 0.2858 H 1 noname 0.0642 39 H11 -2.0673 2.6231 -0.0685 H 1 noname 0.0629 40 H12 -2.8766 -1.5390 0.4025 H 1 noname 0.0623 41 H13 -3.6690 0.7603 0.1811 H 1 noname 0.0622 42 H14 4.2811 -5.2604 -1.9708 H 1 noname 0.0623 43 H15 5.7104 -4.1997 -1.9572 H 1 noname 0.0623 44 H16 2.7649 3.7306 0.0924 H 1 noname 0.1374 45 H17 -0.1406 5.7623 -0.1047 H 1 noname 0.0639 46 H18 4.3385 4.5227 0.1309 H 1 noname 0.0629 47 H19 1.9786 9.3584 -0.1440 H 1 noname 0.0629 48 H20 -0.1179 8.1706 -0.1905 H 1 noname 0.0623 49 H21 4.3838 9.3394 -0.0407 H 1 noname 0.0629 50 H22 6.4350 5.7104 0.1775 H 1 noname 0.0622 51 H23 6.4576 8.1188 0.0917 H 1 noname 0.0622 @BOND 1 1 18 1 2 2 15 2 3 3 5 1 4 3 7 1 5 3 11 1 6 4 15 1 7 4 19 1 8 4 44 1 9 5 6 1 10 5 29 1 11 5 30 1 12 6 9 1 13 6 31 1 14 6 32 1 15 7 8 1 16 7 13 2 17 8 10 1 18 8 14 2 19 9 12 1 20 9 33 1 21 9 34 1 22 10 11 2 23 10 15 1 24 11 35 1 25 12 18 1 26 12 36 1 27 12 37 1 28 13 16 1 29 13 38 1 30 14 17 1 31 14 39 1 32 16 17 2 33 16 40 1 34 17 41 1 35 18 42 1 36 18 43 1 37 19 20 1 38 19 22 2 39 20 21 1 40 20 23 2 41 21 24 1 42 21 26 2 43 22 25 1 44 22 45 1 45 23 27 1 46 23 46 1 47 24 25 2 48 24 47 1 49 25 48 1 50 26 28 1 51 26 49 1 52 27 28 2 53 27 50 1 54 28 51 1 @SUBSTRUCTURE 1 noname 1