@MOLECULE 5-oxo-l-prolyl-l-lysyl-l-serine 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7859 0.1374 -1.4601 O.2 1 UNK1111111111 -0.5156 2 O 5.6223 2.0312 -0.8310 O.2 1 UNK1111111111 -0.4968 3 O -0.6356 0.7155 1.7315 O.2 1 UNK1111111111 -0.5523 4 OG -1.9571 3.7845 -1.3405 O.3 2 SER2222222222 -0.5446 5 O -4.6454 3.1146 0.8471 O.3 2 SER2222222222 -0.5639 6 OXT -4.3566 1.8510 -0.9823 O.2 2 SER2222222222 -0.4762 7 N 1.0179 -1.0029 0.3282 N.am 1 UNK1111111111 -0.5858 8 N 4.3816 0.1235 -0.7685 N.am 1 UNK1111111111 -0.5898 9 N -1.8114 1.1987 -0.1380 N.am 2 SER2222222222 -0.5780 10 N -2.1034 -6.8557 -0.0428 N.3 1 UNK1111111111 -0.6514 11 C 3.4533 -0.5553 0.1361 C.3 1 UNK1111111111 0.0011 12 C -0.3664 -0.8142 -0.1098 C.3 1 UNK1111111111 0.0143 13 C 3.6441 0.1267 1.5195 C.3 1 UNK1111111111 -0.2823 14 C -1.2682 -1.9744 0.3471 C.3 1 UNK1111111111 -0.2941 15 C 4.5827 1.3205 1.2756 C.3 1 UNK1111111111 -0.3535 16 C 2.0278 -0.4054 -0.4035 C.2 1 UNK1111111111 0.5296 17 C -0.9091 -3.2652 -0.3874 C.3 1 UNK1111111111 -0.2653 18 C 4.9415 1.2660 -0.1968 C.2 1 UNK1111111111 0.5949 19 C -1.7045 -4.4418 0.1819 C.3 1 UNK1111111111 -0.2827 20 C -0.9216 0.4424 0.5829 C.2 1 UNK1111111111 0.5429 21 C -1.2550 -5.7395 -0.5105 C.3 1 UNK1111111111 -0.1029 22 CA -2.4505 2.3585 0.4763 C.3 2 SER2222222222 -0.0055 23 CB -1.7605 3.6759 0.0542 C.3 2 SER2222222222 -0.0201 24 C -3.8932 2.3838 -0.0130 C.2 2 SER2222222222 0.6256 25 H 3.7076 -1.6473 0.1862 H 1 UNK1111111111 0.1664 26 H -0.3860 -0.7207 -1.2311 H 1 UNK1111111111 0.1892 27 H 2.6879 0.4593 1.9584 H 1 UNK1111111111 0.1608 28 H 4.0854 -0.5827 2.2392 H 1 UNK1111111111 0.1550 29 H -1.1862 -2.1135 1.4439 H 1 UNK1111111111 0.1570 30 H -2.3325 -1.7157 0.1577 H 1 UNK1111111111 0.1624 31 H 4.0939 2.2808 1.5130 H 1 UNK1111111111 0.1775 32 H 5.4957 1.2748 1.8972 H 1 UNK1111111111 0.1776 33 H -1.1121 -3.1580 -1.4710 H 1 UNK1111111111 0.1463 34 H 0.1783 -3.4617 -0.3039 H 1 UNK1111111111 0.1451 35 H 1.1465 -1.3073 1.2810 H 1 UNK1111111111 0.3198 36 H 4.2857 0.0093 -1.7667 H 1 UNK1111111111 0.3362 37 H -1.5671 -4.5214 1.2750 H 1 UNK1111111111 0.1363 38 H -2.7935 -4.2992 0.0246 H 1 UNK1111111111 0.1618 39 H -1.9861 1.0668 -1.1298 H 2 SER2222222222 0.3431 40 H -1.3969 -5.6455 -1.6111 H 1 UNK1111111111 0.1422 41 H -0.1722 -5.9124 -0.3345 H 1 UNK1111111111 0.1044 42 HA -2.4145 2.2711 1.6040 H 2 SER2222222222 0.2053 43 HB1 -2.2526 4.5514 0.5207 H 2 SER2222222222 0.1449 44 HB2 -0.6877 3.6551 0.3139 H 2 SER2222222222 0.1374 45 H -1.9042 -7.7106 -0.5331 H 1 UNK1111111111 0.2492 46 H -2.0166 -7.0129 0.9457 H 1 UNK1111111111 0.2466 47 H -1.1681 4.1564 -1.7807 H 2 SER2222222222 0.3274 48 H -5.5818 3.2356 0.5548 H 2 SER2222222222 0.3604 @BOND 1 1 16 2 2 2 18 2 3 3 20 2 4 4 23 1 5 4 47 1 6 5 24 1 7 5 48 1 8 6 24 2 9 7 12 1 10 7 16 am 11 7 35 1 12 8 11 1 13 8 18 am 14 8 36 1 15 9 20 am 16 9 22 1 17 9 39 1 18 10 21 1 19 10 45 1 20 10 46 1 21 11 13 1 22 11 16 1 23 11 25 1 24 12 14 1 25 12 20 1 26 12 26 1 27 13 15 1 28 13 27 1 29 13 28 1 30 14 17 1 31 14 29 1 32 14 30 1 33 15 18 1 34 15 31 1 35 15 32 1 36 17 19 1 37 17 33 1 38 17 34 1 39 19 21 1 40 19 37 1 41 19 38 1 42 21 40 1 43 21 41 1 44 22 23 1 45 22 24 1 46 22 42 1 47 23 43 1 48 23 44 1