@MOLECULE n-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-d-glucopyranosylamine 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.2500 0.2188 -0.2693 C.3 1 UNL111111111 0.2511 2 F -7.4185 -0.6065 1.4909 F 1 UNL111111111 -0.1948 3 N 1.8513 0.2941 0.1348 N.am 1 UNL111111111 -0.6434 4 C 3.9315 1.5893 0.0042 C.3 1 UNL111111111 0.0275 5 F -7.8396 0.2416 -0.3942 F 1 UNL111111111 -0.1940 6 N -0.4303 -0.1715 -0.2629 N.am 1 UNL111111111 -0.6631 7 O 3.5469 2.5149 -0.9876 O.3 1 UNL111111111 -0.5472 8 C 5.4546 1.4492 -0.1608 C.3 1 UNL111111111 0.0696 9 F -7.2102 1.4706 1.1879 F 1 UNL111111111 -0.1973 10 O 6.1000 2.5945 0.3535 O.3 1 UNL111111111 -0.5619 11 C 5.9762 0.2875 0.7070 C.3 1 UNL111111111 0.0698 12 O 7.3150 0.0011 0.3723 O.3 1 UNL111111111 -0.5440 13 C 5.1959 -0.9975 0.3648 C.3 1 UNL111111111 0.0506 14 O 3.8131 -0.7543 0.5993 O.3 1 UNL111111111 -0.4761 15 C 5.5379 -2.1456 1.3222 C.3 1 UNL111111111 -0.0159 16 O 4.9327 -3.3384 0.8764 O.3 1 UNL111111111 -0.5308 17 C 0.8911 -0.2047 -0.7721 C.2 1 UNL111111111 0.7092 18 O 1.1749 -0.5057 -1.9029 O.2 1 UNL111111111 -0.4361 19 C -1.5152 -0.6386 -1.0394 C.2 1 UNL111111111 0.5740 20 O -1.3238 -1.2242 -2.0732 O.2 1 UNL111111111 -0.3924 21 C -2.8904 -0.3691 -0.5242 C.ar 1 UNL111111111 -0.1041 22 C -3.9239 -1.0253 -1.2001 C.ar 1 UNL111111111 -0.0931 23 C -5.2497 -0.8101 -0.8328 C.ar 1 UNL111111111 -0.1057 24 C -5.5367 0.0644 0.2144 C.ar 1 UNL111111111 -0.1006 25 C -4.5105 0.7095 0.9034 C.ar 1 UNL111111111 -0.1047 26 C -3.1847 0.4995 0.5255 C.ar 1 UNL111111111 -0.1291 27 C -6.9686 0.2924 0.6137 C.3 1 UNL111111111 0.5370 28 H 3.3633 -0.1003 -1.3388 H 1 UNL111111111 0.1787 29 H 1.6826 0.2629 1.1329 H 1 UNL111111111 0.3160 30 H 3.6658 2.0033 0.9998 H 1 UNL111111111 0.1479 31 H -0.6061 0.2575 0.6364 H 1 UNL111111111 0.3156 32 H 2.5692 2.5129 -1.0899 H 1 UNL111111111 0.3349 33 H 5.7427 1.3349 -1.2317 H 1 UNL111111111 0.1562 34 H 5.7691 3.3968 -0.1107 H 1 UNL111111111 0.3408 35 H 5.9256 0.5403 1.7895 H 1 UNL111111111 0.1472 36 H 7.8461 0.8307 0.4114 H 1 UNL111111111 0.3395 37 H 5.3498 -1.3046 -0.6946 H 1 UNL111111111 0.1591 38 H 6.6246 -2.3680 1.3042 H 1 UNL111111111 0.1675 39 H 5.2088 -1.9385 2.3560 H 1 UNL111111111 0.1279 40 H 3.9771 -3.1784 0.7154 H 1 UNL111111111 0.3217 41 H -3.6870 -1.7034 -2.0291 H 1 UNL111111111 0.1899 42 H -6.0445 -1.3308 -1.3722 H 1 UNL111111111 0.1776 43 H -4.7247 1.3822 1.7371 H 1 UNL111111111 0.1727 44 H -2.3993 1.0319 1.0588 H 1 UNL111111111 0.1523 @BOND 1 1 3 1 2 1 4 1 3 1 14 1 4 1 28 1 5 2 27 1 6 3 17 am 7 3 29 1 8 4 7 1 9 4 8 1 10 4 30 1 11 5 27 1 12 6 17 am 13 6 19 am 14 6 31 1 15 7 32 1 16 8 10 1 17 8 11 1 18 8 33 1 19 9 27 1 20 10 34 1 21 11 12 1 22 11 13 1 23 11 35 1 24 12 36 1 25 13 14 1 26 13 15 1 27 13 37 1 28 15 16 1 29 15 38 1 30 15 39 1 31 16 40 1 32 17 18 2 33 19 20 2 34 19 21 1 35 21 22 ar 36 21 26 ar 37 22 23 ar 38 22 41 1 39 23 24 ar 40 23 42 1 41 24 25 ar 42 24 27 1 43 25 26 ar 44 25 43 1 45 26 44 1