@MOLECULE n-(cyclohexylcarbonyl)-l-leucine 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2781 -0.8393 1.3858 O.2 1 UNL1111111111 -0.5348 2 O 1.6262 2.6371 -0.6869 O.3 1 UNL1111111111 -0.5746 3 OXT 2.8530 2.2869 1.1398 O.2 1 UNL1111111111 -0.4886 4 N 0.4086 0.2940 -0.4404 N.am 1 UNL1111111111 -0.6124 5 C -1.9727 -0.2900 -0.2502 C.3 1 UNL1111111111 -0.1850 6 C -2.8465 -1.2889 0.5246 C.3 1 UNL1111111111 -0.2555 7 C -2.5467 1.1319 -0.1268 C.3 1 UNL1111111111 -0.2645 8 C -4.2848 -1.2546 -0.0019 C.3 1 UNL1111111111 -0.2655 9 C -3.9868 1.1647 -0.6530 C.3 1 UNL1111111111 -0.2610 10 C -4.8629 0.1623 0.1100 C.3 1 UNL1111111111 -0.2629 11 C -0.5689 -0.3168 0.3300 C.2 0 ACE0 0.5750 12 CA 1.7835 0.3735 0.0363 C.3 1 UNL1 0.0429 13 CB 2.7843 -0.2133 -0.9801 C.3 1 UNL1 -0.3123 14 CG 3.1636 -1.6806 -0.6919 C.3 1 UNL1 -0.0503 15 CD1 3.9306 -1.8059 0.6285 C.3 1 UNL1 -0.4582 16 CD2 1.9341 -2.5917 -0.6833 C.3 1 UNL1 -0.4599 17 C 2.1596 1.8344 0.2719 C.2 1 UNL1 0.5968 18 H -1.9455 -0.5898 -1.3253 H 1 UNL1 0.1541 19 H -2.8243 -1.0484 1.6074 H 1 UNL1 0.1609 20 H -2.4250 -2.3080 0.4442 H 1 UNL1 0.1430 21 H -1.9231 1.8565 -0.6817 H 1 UNL1 0.1344 22 H -2.5245 1.4561 0.9322 H 1 UNL1 0.1531 23 H -4.9113 -1.9663 0.5668 H 1 UNL1 0.1340 24 H -4.3159 -1.5955 -1.0532 H 1 UNL1 0.1338 25 H -4.0033 0.9355 -1.7344 H 1 UNL1 0.1347 26 H -4.4013 2.1847 -0.5515 H 1 UNL1 0.1337 27 H -5.8958 0.1849 -0.2809 H 1 UNL1 0.1288 28 H -4.9322 0.4566 1.1746 H 1 UNL1 0.1402 29 HA 1.8709 -0.1690 1.0297 H 1 UNL1 0.2135 30 HB1 2.3686 -0.1372 -2.0040 H 1 UNL1 0.1524 31 HB2 3.7124 0.3935 -0.9937 H 1 UNL1 0.1521 32 H 0.1972 0.7697 -1.3035 H 1 UNL1 0.3218 33 HG 3.8399 -2.0131 -1.5210 H 1 UNL1 0.1277 34 HD11 4.7866 -1.1238 0.6667 H 1 UNL1 0.1460 35 HD12 3.2948 -1.5859 1.4951 H 1 UNL1 0.1543 36 HD13 4.3119 -2.8238 0.7662 H 1 UNL1 0.1455 37 HD21 1.2713 -2.3703 0.1659 H 1 UNL1 0.1683 38 HD22 1.3426 -2.4799 -1.5968 H 1 UNL1 0.1399 39 HD23 2.2212 -3.6446 -0.5978 H 1 UNL1 0.1409 40 H 1.8384 3.5954 -0.5658 H 1 UNL1 0.3578 @BOND 1 1 11 2 2 2 17 1 3 2 40 1 4 3 17 2 5 4 11 am 6 4 12 1 7 4 32 1 8 5 6 1 9 5 7 1 10 5 11 1 11 5 18 1 12 6 8 1 13 6 19 1 14 6 20 1 15 7 9 1 16 7 21 1 17 7 22 1 18 8 10 1 19 8 23 1 20 8 24 1 21 9 10 1 22 9 25 1 23 9 26 1 24 10 27 1 25 10 28 1 26 12 13 1 27 12 17 1 28 12 29 1 29 13 14 1 30 13 30 1 31 13 31 1 32 14 15 1 33 14 16 1 34 14 33 1 35 15 34 1 36 15 35 1 37 15 36 1 38 16 37 1 39 16 38 1 40 16 39 1