@MOLECULE DB07415 47 49 1 SMALL USER_CHARGES @ATOM 1 F1 1.9928 -0.0675 0.7383 F 1 noname -0.1555 2 C1 0.9322 0.5553 0.3141 C.2 1 noname 0.0474 3 C2 -0.2098 -0.1729 -0.1428 C.2 1 noname 0.0465 4 C3 0.8815 1.9897 0.2941 C.2 1 noname 0.0054 5 O1 -0.1507 -1.5215 -0.1606 O.3 1 noname -0.2635 6 C4 -1.4092 0.4631 -0.5808 C.2 1 noname -0.0148 7 C5 -0.3143 2.6607 -0.1880 C.2 1 noname -0.0476 8 C6 0.3465 -1.9570 -1.4174 C.3 1 noname 0.0424 9 C7 -1.4682 1.8925 -0.6007 C.2 1 noname -0.0491 10 C8 -0.3304 4.1405 -0.5114 C.3 1 noname 0.0589 11 C9 -0.0797 4.3434 -1.9633 C.2 1 noname 0.0028 12 C10 0.2737 5.2056 0.4573 C.3 1 noname 0.0427 13 N1 -0.9060 5.0241 -2.7665 N.2 1 noname -0.2589 14 C11 0.8759 3.7354 -2.7749 C.2 1 noname -0.1332 15 C12 -0.4196 5.1450 1.7407 C.2 1 noname 0.0010 16 C13 -0.4975 4.8300 -4.0393 C.2 1 noname -0.0230 17 N2 0.5793 4.0407 -4.0436 N.3 1 noname -0.0661 18 C14 0.2900 4.8586 2.9011 C.2 1 noname 0.0282 19 C15 -1.7893 5.3737 1.8023 C.2 1 noname 0.0332 20 N3 -1.0819 5.3487 -5.1279 N.3 1 noname -0.1066 21 O2 1.6203 4.6365 2.8414 O.3 1 noname -0.2741 22 C16 -0.3700 4.8008 4.1230 C.2 1 noname -0.0045 23 C17 -2.4493 5.3159 3.0242 C.2 1 noname 0.0195 24 C18 2.3131 5.8652 3.0045 C.3 1 noname 0.0423 25 C19 -1.7397 5.0295 4.1846 C.2 1 noname 0.0289 26 N4 -3.7353 5.5306 3.0819 N.2 1 noname -0.0188 27 O3 -4.4125 5.2590 2.1738 O.2 1 noname -0.1450 28 O4 -4.2463 6.0336 4.1240 O.3 1 noname -0.1450 29 H1 1.7413 2.5629 0.6409 H 1 noname 0.0657 30 H2 -2.2659 -0.1331 -0.8949 H 1 noname 0.0651 31 H3 0.3578 -3.0465 -1.4459 H 1 noname 0.0535 32 H4 -0.2958 -1.5793 -2.2129 H 1 noname 0.0535 33 H5 1.3593 -1.5793 -1.5581 H 1 noname 0.0535 34 H6 -2.3815 2.3903 -0.9264 H 1 noname 0.0626 35 H7 -1.3732 4.3940 -0.3203 H 1 noname 0.0422 36 H8 1.3048 4.9214 0.6673 H 1 noname 0.0327 37 H9 0.0524 6.1925 0.0508 H 1 noname 0.0327 38 H10 1.7205 3.1193 -2.4665 H 1 noname 0.0809 39 H11 1.0813 3.7293 -4.8627 H 1 noname 0.1547 40 H12 -2.3457 5.5983 0.8923 H 1 noname 0.0650 41 H13 -2.0728 5.5442 -5.1245 H 1 noname 0.1270 42 H14 -0.5314 5.5442 -5.9519 H 1 noname 0.1270 43 H15 0.1864 4.5762 5.0330 H 1 noname 0.0651 44 H16 2.4324 6.0768 4.0671 H 1 noname 0.0535 45 H17 3.2946 5.7939 2.5358 H 1 noname 0.0535 46 H18 1.7441 6.6681 2.5358 H 1 noname 0.0535 47 H19 -2.2573 4.9842 5.1428 H 1 noname 0.0648 @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 10 11 1 12 10 12 1 13 11 13 1 14 11 14 2 15 12 15 1 16 13 16 2 17 14 17 1 18 15 18 2 19 15 19 1 20 16 20 1 21 16 17 1 22 18 21 1 23 18 22 1 24 19 23 2 25 21 24 1 26 22 25 2 27 23 26 1 28 23 25 1 29 26 27 2 30 26 28 1 31 4 29 1 32 6 30 1 33 8 31 1 34 8 32 1 35 8 33 1 36 9 34 1 37 10 35 1 38 12 36 1 39 12 37 1 40 14 38 1 41 17 39 1 42 19 40 1 43 20 41 1 44 20 42 1 45 22 43 1 46 24 44 1 47 24 45 1 48 24 46 1 49 25 47 1 @SUBSTRUCTURE 1 noname 1