@MOLECULE n-({(2e)-2-[4-(trifluoromethyl)benzylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.0487 -0.2119 0.6766 C.3 1 UNL1111111111 0.2380 2 F 6.4962 1.8006 -1.3725 F 1 UNL1111111111 -0.1990 3 N -1.7593 -0.8909 0.7605 N.am 1 UNL1111111111 -0.5168 4 S -2.9214 -3.3472 0.5969 S.2 1 UNL1111111111 -0.4401 5 C -2.9666 1.1529 1.4125 C.3 1 UNL1111111111 0.0273 6 F 7.4944 0.7165 0.1273 F 1 UNL1111111111 -0.1983 7 N -0.4135 -2.7587 0.1927 N.am 1 UNL1111111111 -0.3902 8 O -3.0638 0.9438 2.8039 O.3 1 UNL1111111111 -0.5478 9 C -4.1984 2.0112 1.0636 C.3 1 UNL1111111111 0.0711 10 F 6.1570 2.2525 0.6605 F 1 UNL1111111111 -0.1994 11 N 0.6520 -1.9123 0.1484 N.2 1 UNL1111111111 -0.1770 12 O -3.9444 3.3544 1.4179 O.3 1 UNL1111111111 -0.5631 13 C -4.4409 2.0646 -0.4599 C.3 1 UNL1111111111 0.0702 14 O -5.7352 2.5618 -0.7119 O.3 1 UNL1111111111 -0.5438 15 C -4.4420 0.6400 -1.0472 C.3 1 UNL1111111111 0.0476 16 O -3.2018 0.0321 -0.7119 O.3 1 UNL1111111111 -0.4604 17 C -4.4369 0.6364 -2.5815 C.3 1 UNL1111111111 -0.0155 18 O -4.5439 -0.6880 -3.0530 O.3 1 UNL1111111111 -0.5309 19 C -1.6734 -2.2401 0.4980 C.2 1 UNL1111111111 0.4868 20 C 1.8382 -2.3936 -0.0708 C.2 1 UNL1111111111 -0.0632 21 C 2.9690 -1.4569 -0.1135 C.ar 1 UNL1111111111 0.0273 22 C 4.2304 -1.9150 0.2822 C.ar 1 UNL1111111111 -0.1637 23 C 5.3232 -1.0524 0.2641 C.ar 1 UNL1111111111 -0.0853 24 C 5.1525 0.2657 -0.1561 C.ar 1 UNL1111111111 -0.1291 25 C 3.8986 0.7274 -0.5586 C.ar 1 UNL1111111111 -0.0896 26 C 2.8061 -0.1349 -0.5380 C.ar 1 UNL1111111111 -0.1396 27 C 6.3047 1.2289 -0.1824 C.3 1 UNL1111111111 0.5439 28 H -3.8907 -0.8414 1.0662 H 1 UNL1111111111 0.1840 29 H -0.9424 -0.3094 0.5437 H 1 UNL1111111111 0.3300 30 H -2.0240 1.7020 1.1968 H 1 UNL1111111111 0.1499 31 H -0.2895 -3.7757 0.1167 H 1 UNL1111111111 0.3321 32 H -2.4182 0.2600 3.0912 H 1 UNL1111111111 0.3361 33 H -5.1034 1.6633 1.6142 H 1 UNL1111111111 0.1575 34 H -3.7456 3.4164 2.3791 H 1 UNL1111111111 0.3394 35 H -3.6963 2.7272 -0.9549 H 1 UNL1111111111 0.1479 36 H -5.8409 3.4406 -0.2798 H 1 UNL1111111111 0.3376 37 H -5.2866 0.0302 -0.6529 H 1 UNL1111111111 0.1607 38 H -5.3344 1.1457 -2.9860 H 1 UNL1111111111 0.1644 39 H -3.5199 1.0919 -2.9961 H 1 UNL1111111111 0.1281 40 H -3.8793 -1.2512 -2.5955 H 1 UNL1111111111 0.3270 41 H 2.0812 -3.4548 -0.2151 H 1 UNL1111111111 0.1647 42 H 4.3622 -2.9454 0.6124 H 1 UNL1111111111 0.1639 43 H 6.2986 -1.4271 0.5819 H 1 UNL1111111111 0.1732 44 H 3.7626 1.7598 -0.8895 H 1 UNL1111111111 0.1718 45 H 1.8227 0.2188 -0.8525 H 1 UNL1111111111 0.1724 @BOND 1 1 28 1 2 2 27 1 3 3 1 1 4 3 19 1 5 3 29 1 6 5 1 1 7 5 9 1 8 5 8 1 9 5 30 1 10 6 27 1 11 7 19 1 12 7 31 1 13 8 32 1 14 9 33 1 15 10 27 1 16 11 7 1 17 12 9 1 18 12 34 1 19 13 9 1 20 13 14 1 21 13 15 1 22 13 35 1 23 14 36 1 24 15 37 1 25 16 1 1 26 16 15 1 27 17 15 1 28 17 38 1 29 17 39 1 30 18 17 1 31 18 40 1 32 19 4 2 33 20 11 2 34 20 41 1 35 21 20 1 36 22 21 ar 37 22 42 1 38 23 22 ar 39 23 43 1 40 24 23 ar 41 24 25 ar 42 25 26 ar 43 25 44 1 44 26 21 ar 45 26 45 1 46 27 24 1