@MOLECULE isobutyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.4378 -2.2607 0.2294 C.2 1 UNL1111111111 0.8595 2 C 1.0628 -1.7266 0.2378 C.2 1 UNL1111111111 -0.5570 3 C 0.0239 -2.2895 -0.3908 C.2 1 UNL1111111111 0.1340 4 C -1.3315 -1.6827 -0.2286 C.3 1 UNL1111111111 -0.6390 5 C -1.2819 -0.1309 -0.0810 C.3 1 UNL1111111111 1.0197 6 C 0.0811 0.3900 0.4394 C.3 1 UNL1111111111 -0.7558 7 O 0.6901 0.9098 -0.7033 O.3 1 UNL1111111111 -0.0561 8 C 1.9399 1.5540 -0.4949 C.3 1 UNL1111111111 -0.2604 9 C 1.7241 2.9791 0.0376 C.3 1 UNL1111111111 0.1089 10 C 3.0862 3.6302 0.2919 C.3 1 UNL1111111111 -1.0366 11 C 0.9057 3.7986 -0.9625 C.3 1 UNL1111111111 -0.7367 12 C -3.6313 0.4867 0.3296 C.2 1 UNL1111111111 0.5226 13 C -4.6468 0.9920 1.3102 C.3 1 UNL1111111111 -0.8860 14 N -2.3428 0.3299 0.8163 N.am 1 UNL1111111111 -0.8423 15 O 3.3666 -1.3075 0.4897 O.3 1 UNL1111111111 -0.6179 16 O 2.7653 -3.3993 0.0104 O.2 1 UNL1111111111 -0.5466 17 O -2.0581 -2.0323 -1.3850 O.3 1 UNL1111111111 -0.3000 18 O 0.8995 -0.6165 1.0204 O.2 1 UNL1111111111 0.2021 19 O -3.8795 0.2300 -0.8318 O.2 1 UNL1111111111 -0.3833 20 H 0.0896 -3.1786 -1.0190 H 1 UNL1111111111 0.1952 21 H -1.8550 -2.1455 0.6473 H 1 UNL1111111111 0.2283 22 H -1.4536 0.3127 -1.1133 H 1 UNL1111111111 0.0766 23 H 0.0269 1.1258 1.2700 H 1 UNL1111111111 0.2567 24 H 2.3624 1.5482 -1.5176 H 1 UNL1111111111 0.1955 25 H 2.5828 0.9466 0.1677 H 1 UNL1111111111 0.2319 26 H 1.1640 2.9269 1.0021 H 1 UNL1111111111 0.1783 27 H 2.9700 4.6556 0.6612 H 1 UNL1111111111 0.2909 28 H 3.6648 3.0754 1.0391 H 1 UNL1111111111 0.2680 29 H 3.6873 3.6812 -0.6230 H 1 UNL1111111111 0.3092 30 H -0.0282 3.2825 -1.2220 H 1 UNL1111111111 0.1721 31 H 0.6442 4.7809 -0.5574 H 1 UNL1111111111 0.2278 32 H 1.4532 3.9613 -1.8972 H 1 UNL1111111111 0.2366 33 H -4.3451 1.9408 1.7736 H 1 UNL1111111111 0.3174 34 H -5.6081 1.1741 0.7977 H 1 UNL1111111111 0.2754 35 H -4.8445 0.2662 2.1105 H 1 UNL1111111111 0.2399 36 H -2.1254 0.4344 1.7926 H 1 UNL1111111111 0.4172 37 H 4.2916 -1.6667 0.4898 H 1 UNL1111111111 0.4096 38 H -2.8454 -1.4416 -1.4885 H 1 UNL1111111111 0.2442 @BOND 1 1 2 1 2 1 15 1 3 1 16 2 4 2 3 2 5 2 18 1 6 3 4 1 7 3 20 1 8 4 5 1 9 4 17 1 10 4 21 1 11 5 6 1 12 5 14 1 13 5 22 1 14 6 7 1 15 6 18 1 16 6 23 1 17 7 8 1 18 8 9 1 19 8 24 1 20 8 25 1 21 9 10 1 22 9 11 1 23 9 26 1 24 10 27 1 25 10 28 1 26 10 29 1 27 11 30 1 28 11 31 1 29 11 32 1 30 12 13 1 31 12 14 am 32 12 19 2 33 13 33 1 34 13 34 1 35 13 35 1 36 14 36 1 37 15 37 1 38 17 38 1