@MOLECULE 2-amino-5,6-dimethylbenzimidazole-1-pentanoic acid 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.5981 -1.1399 0.7717 N.ar 1 UNL111111111 -0.3926 2 C -0.8885 -2.3395 0.0658 C.ar 1 UNL111111111 0.4314 3 N -2.0709 -2.2931 -0.5671 N.ar 1 UNL111111111 -0.4731 4 C -3.7405 -0.3987 -0.8168 C.ar 1 UNL111111111 -0.1576 5 C -3.9849 0.9236 -0.4628 C.ar 1 UNL111111111 -0.0015 6 C -3.0689 1.6517 0.3331 C.ar 1 UNL111111111 0.0188 7 C -1.8893 1.0714 0.7910 C.ar 1 UNL111111111 -0.2093 8 C -2.5626 -0.9924 -0.3709 C.ar 1 UNL111111111 0.0914 9 C -1.6397 -0.2485 0.4352 C.ar 1 UNL111111111 0.0400 10 C -5.2417 1.5751 -0.9375 C.3 1 UNL111111111 -0.4367 11 C -3.3615 3.0699 0.6959 C.3 1 UNL111111111 -0.4396 12 N -0.0068 -3.4175 0.0355 N.pl3 1 UNL111111111 -0.5913 13 C 0.7286 -0.7088 1.1879 C.3 1 UNL111111111 -0.0553 14 C 1.6114 -0.3468 -0.0217 C.3 1 UNL111111111 -0.3087 15 C 2.9985 0.0831 0.4538 C.3 1 UNL111111111 -0.2502 16 C 3.8950 0.4095 -0.7433 C.3 1 UNL111111111 -0.3430 17 C 5.2538 0.8121 -0.2712 C.2 1 UNL111111111 0.6447 18 O 5.6964 0.8441 0.8462 O.2 1 UNL111111111 -0.5100 19 O 6.0266 1.1750 -1.3308 O.3 1 UNL111111111 -0.5720 20 H -4.4384 -0.9717 -1.4238 H 1 UNL111111111 0.1757 21 H -1.1906 1.6277 1.4064 H 1 UNL111111111 0.1605 22 H -5.8532 1.9269 -0.0941 H 1 UNL111111111 0.1552 23 H -5.0241 2.4455 -1.5733 H 1 UNL111111111 0.1546 24 H -5.8713 0.8961 -1.5284 H 1 UNL111111111 0.1537 25 H -3.4750 3.6966 -0.2010 H 1 UNL111111111 0.1569 26 H -4.2963 3.1479 1.2710 H 1 UNL111111111 0.1581 27 H -2.5709 3.5239 1.3069 H 1 UNL111111111 0.1501 28 H -0.3959 -4.2578 -0.3765 H 1 UNL111111111 0.3072 29 H 0.5091 -3.5967 0.8799 H 1 UNL111111111 0.2873 30 H 0.6192 0.1684 1.8691 H 1 UNL111111111 0.1557 31 H 1.2015 -1.5197 1.7880 H 1 UNL111111111 0.1437 32 H 1.6814 -1.2155 -0.7079 H 1 UNL111111111 0.1637 33 H 1.1297 0.4573 -0.6118 H 1 UNL111111111 0.1571 34 H 2.9259 0.9636 1.1243 H 1 UNL111111111 0.1536 35 H 3.4653 -0.7136 1.0689 H 1 UNL111111111 0.1539 36 H 3.9784 -0.4636 -1.4288 H 1 UNL111111111 0.1853 37 H 3.4526 1.2187 -1.3660 H 1 UNL111111111 0.1853 38 H 6.9414 1.4518 -1.0813 H 1 UNL111111111 0.3569 @BOND 1 1 2 ar 2 1 9 ar 3 1 13 1 4 2 3 ar 5 2 12 1 6 3 8 ar 7 4 5 ar 8 4 8 ar 9 4 20 1 10 5 6 ar 11 5 10 1 12 6 7 ar 13 6 11 1 14 7 9 ar 15 7 21 1 16 8 9 ar 17 10 22 1 18 10 23 1 19 10 24 1 20 11 25 1 21 11 26 1 22 11 27 1 23 12 28 1 24 12 29 1 25 13 14 1 26 13 30 1 27 13 31 1 28 14 15 1 29 14 32 1 30 14 33 1 31 15 16 1 32 15 34 1 33 15 35 1 34 16 17 1 35 16 36 1 36 16 37 1 37 17 18 2 38 17 19 1 39 19 38 1