@MOLECULE 2-amino-3-(1h-benzimidazol-5-yl)-2-methylpropanoic acid 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4135 -1.1940 1.4148 O.3 1 UNL1111111111 -0.5313 2 O 2.6650 -2.0357 -0.2247 O.2 1 UNL1111111111 -0.5323 3 N 3.8586 0.5023 -0.5957 N.3 1 UNL1111111111 -0.6582 4 N -2.9122 -1.4949 -0.4080 N.ar 1 UNL1111111111 -0.4289 5 N -3.8846 0.3413 0.5076 N.ar 1 UNL1111111111 -0.3859 6 C 2.5060 0.3993 -0.0210 C.3 1 UNL1111111111 0.2048 7 C 1.5070 0.8086 -1.1350 C.3 1 UNL1111111111 -0.3065 8 C 0.0794 0.7237 -0.6935 C.ar 1 UNL1111111111 0.0401 9 C 2.3969 1.2859 1.2174 C.3 1 UNL1111111111 -0.4600 10 C -0.6143 -0.4671 -0.8518 C.ar 1 UNL1111111111 -0.2222 11 C -1.9398 -0.4912 -0.4148 C.ar 1 UNL1111111111 0.0705 12 C 2.2232 -1.0696 0.3433 C.2 1 UNL1111111111 0.5688 13 C -0.5345 1.8677 -0.1304 C.ar 1 UNL1111111111 -0.1987 14 C -2.5653 0.6628 0.1666 C.ar 1 UNL1111111111 0.0500 15 C -1.8465 1.8544 0.3047 C.ar 1 UNL1111111111 -0.0990 16 C -4.0712 -0.9306 0.1622 C.ar 1 UNL1111111111 0.1466 17 H 1.7641 1.8411 -1.4630 H 1 UNL1111111111 0.1808 18 H 1.6784 0.1834 -2.0378 H 1 UNL1111111111 0.1666 19 H 2.6444 2.3282 0.9775 H 1 UNL1111111111 0.1645 20 H 3.0649 0.9595 2.0222 H 1 UNL1111111111 0.1527 21 H 1.3746 1.2688 1.6278 H 1 UNL1111111111 0.1813 22 H -0.1501 -1.3447 -1.2906 H 1 UNL1111111111 0.1685 23 H 0.0518 2.7816 -0.0396 H 1 UNL1111111111 0.1606 24 H 4.0411 -0.2107 -1.2885 H 1 UNL1111111111 0.2731 25 H 4.5847 0.4877 0.1009 H 1 UNL1111111111 0.2620 26 H -2.3224 2.7299 0.7420 H 1 UNL1111111111 0.1694 27 H -2.7959 -2.4193 -0.7521 H 1 UNL1111111111 0.3225 28 H -4.9832 -1.4937 0.2892 H 1 UNL1111111111 0.1892 29 H 1.2074 -2.1338 1.6519 H 1 UNL1111111111 0.3509 @BOND 1 1 12 1 2 1 29 1 3 2 12 2 4 3 6 1 5 3 24 1 6 3 25 1 7 4 11 ar 8 4 16 ar 9 4 27 1 10 5 14 ar 11 5 16 ar 12 6 7 1 13 6 9 1 14 6 12 1 15 7 8 1 16 7 17 1 17 7 18 1 18 8 10 ar 19 8 13 ar 20 9 19 1 21 9 20 1 22 9 21 1 23 10 11 ar 24 10 22 1 25 11 14 ar 26 13 15 ar 27 13 23 1 28 14 15 ar 29 15 26 1 30 16 28 1