@MOLECULE n,n-bis(carboxymethyl)glycyl-l-proline 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4892 0.1344 -1.2657 O.2 1 UNL1111111111 -0.4486 2 O 4.3435 -0.3512 -1.9455 O.3 1 UNL1111111111 -0.5641 3 O 3.1478 -1.7479 -0.6812 O.2 1 UNL1111111111 -0.4937 4 O -2.2092 -2.9016 0.3837 O.3 1 UNL1111111111 -0.5824 5 O -4.1646 1.7424 -0.0500 O.3 1 UNL1111111111 -0.5840 6 O -3.9590 -2.1026 -0.7490 O.2 1 UNL1111111111 -0.4741 7 O -2.6442 2.7182 -1.3584 O.2 1 UNL1111111111 -0.4643 8 N 1.8032 0.4616 0.5189 N.am 1 UNL1111111111 -0.5294 9 N -1.7876 0.0420 0.3999 N.3 1 UNL1111111111 -0.3480 10 C 2.9691 0.6882 -0.3411 C.3 1 UNL1111111111 0.0396 11 C 4.0608 1.2085 0.6156 C.3 1 UNL1111111111 -0.2762 12 C 3.7197 0.5821 1.9806 C.3 1 UNL1111111111 -0.2816 13 C 2.2328 0.1601 1.8975 C.3 1 UNL1111111111 -0.0645 14 C 0.6083 0.0369 -0.0685 C.2 1 UNL1111111111 0.5643 15 C -0.4815 -0.4628 0.8727 C.3 1 UNL1111111111 -0.2101 16 C 3.4420 -0.6206 -0.9679 C.2 1 UNL1111111111 0.6042 17 C -2.9007 -0.7322 0.9871 C.3 1 UNL1111111111 -0.1977 18 C -1.9237 1.4929 0.6384 C.3 1 UNL1111111111 -0.1895 19 C -3.1144 -1.9316 0.0827 C.2 1 UNL1111111111 0.6529 20 C -2.8848 2.0447 -0.3987 C.2 1 UNL1111111111 0.6487 21 H 2.7067 1.4187 -1.1535 H 1 UNL1111111111 0.1974 22 H 5.0758 0.9453 0.2745 H 1 UNL1111111111 0.1608 23 H 4.0294 2.3119 0.6669 H 1 UNL1111111111 0.1577 24 H 4.3618 -0.2919 2.1854 H 1 UNL1111111111 0.1504 25 H 3.8909 1.2937 2.8029 H 1 UNL1111111111 0.1461 26 H 2.1143 -0.9188 2.1326 H 1 UNL1111111111 0.1386 27 H 1.6103 0.7444 2.6065 H 1 UNL1111111111 0.1348 28 H -0.4778 -1.5859 0.7931 H 1 UNL1111111111 0.2066 29 H -0.2786 -0.2164 1.9342 H 1 UNL1111111111 0.1351 30 H -3.8459 -0.1287 0.9862 H 1 UNL1111111111 0.2004 31 H -2.7299 -1.0610 2.0353 H 1 UNL1111111111 0.1514 32 H -0.9344 1.9945 0.4793 H 1 UNL1111111111 0.1851 33 H -2.2678 1.7601 1.6615 H 1 UNL1111111111 0.1503 34 H 4.6663 -1.1553 -2.4230 H 1 UNL1111111111 0.3590 35 H -2.2452 -3.6842 -0.2190 H 1 UNL1111111111 0.3617 36 H -4.8362 2.0009 -0.7281 H 1 UNL1111111111 0.3631 @BOND 1 1 14 2 2 2 16 1 3 2 34 1 4 3 16 2 5 4 19 1 6 4 35 1 7 5 20 1 8 5 36 1 9 6 19 2 10 7 20 2 11 8 10 1 12 8 13 1 13 8 14 am 14 9 15 1 15 9 17 1 16 9 18 1 17 10 11 1 18 10 16 1 19 10 21 1 20 11 12 1 21 11 22 1 22 11 23 1 23 12 13 1 24 12 24 1 25 12 25 1 26 13 26 1 27 13 27 1 28 14 15 1 29 15 28 1 30 15 29 1 31 17 19 1 32 17 30 1 33 17 31 1 34 18 20 1 35 18 32 1 36 18 33 1