@MOLECULE 5-oxo-l-prolyl-l-seryl-d-leucinamide 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2121 -0.0138 -1.8664 O.2 1 UNL1111111111 -0.5645 2 O -3.1078 -3.5073 -0.2853 O.2 1 UNL1111111111 -0.5067 3 O 1.5457 2.4223 0.6533 O.2 1 UNL1111111111 -0.5746 4 O -0.4628 4.2138 0.5070 O.3 1 UNL1111111111 -0.5568 5 O 0.0390 -0.6966 1.8136 O.2 1 UNL1111111111 -0.5571 6 N -3.3712 -1.3449 -0.9709 N.am 1 UNL1111111111 -0.5927 7 N -1.4698 1.8253 -0.5915 N.am 1 UNL1111111111 -0.5826 8 N 1.2213 0.4472 -0.4037 N.am 1 UNL1111111111 -0.5583 9 N 1.9294 -0.5577 3.0227 N.am 1 UNL1111111111 -0.6738 10 CA -3.1567 0.0012 -0.4397 C.3 1 UNL1111111111 0.0080 11 C -3.0593 -0.1749 1.1029 C.3 1 UNL1111111111 -0.2765 12 C 2.5152 -1.6162 -0.0131 C.3 1 UNL1111111111 -0.3094 13 C -2.9657 -1.6900 1.3467 C.3 1 UNL1111111111 -0.3537 14 C 2.0680 -0.2611 0.5564 C.3 1 UNL1111111111 0.0055 15 C 3.5823 -1.4457 -1.1114 C.3 1 UNL1111111111 -0.0480 16 CA -0.1919 2.3773 -1.0411 C.3 1 UNL1111111111 -0.0492 17 C -1.8611 0.5777 -1.0219 C.2 1 UNL1111111111 0.5461 18 C -3.1350 -2.3341 -0.0103 C.2 1 UNL1111111111 0.6027 19 C 0.9358 1.7707 -0.1775 C.2 1 UNL1111111111 0.5514 20 C 4.9359 -1.0594 -0.5046 C.3 1 UNL1111111111 -0.4585 21 C 3.7133 -2.7527 -1.9010 C.3 1 UNL1111111111 -0.4556 22 C -0.2150 3.9111 -0.8433 C.3 1 UNL1111111111 -0.0037 23 C 1.2399 -0.5173 1.8321 C.2 1 UNL1111111111 0.5643 24 HA -4.0173 0.6576 -0.7274 H 1 UNL1111111111 0.1660 25 H -2.1752 0.3356 1.5282 H 1 UNL1111111111 0.1701 26 H -3.9439 0.2571 1.5988 H 1 UNL1111111111 0.1532 27 H 2.9069 -2.2599 0.7980 H 1 UNL1111111111 0.1569 28 H 1.6384 -2.1653 -0.4183 H 1 UNL1111111111 0.1671 29 H 2.9572 0.3875 0.7931 H 1 UNL1111111111 0.1795 30 H -1.9782 -1.9715 1.7748 H 1 UNL1111111111 0.1993 31 H -3.7232 -2.0569 2.0592 H 1 UNL1111111111 0.1738 32 H 3.2560 -0.6355 -1.8099 H 1 UNL1111111111 0.1434 33 H -3.2557 -1.5145 -1.9569 H 1 UNL1111111111 0.3303 34 HA -0.0218 2.1233 -2.1239 H 1 UNL1111111111 0.1887 35 H -1.9204 2.3251 0.1664 H 1 UNL1111111111 0.3367 36 H 0.6066 -0.1218 -0.9899 H 1 UNL1111111111 0.3505 37 H 5.2888 -1.8097 0.2105 H 1 UNL1111111111 0.1436 38 H 4.8885 -0.0953 0.0123 H 1 UNL1111111111 0.1410 39 H 5.7037 -0.9674 -1.2817 H 1 UNL1111111111 0.1459 40 H 4.0086 -3.5874 -1.2566 H 1 UNL1111111111 0.1453 41 H 4.4691 -2.6652 -2.6891 H 1 UNL1111111111 0.1436 42 H 2.7684 -3.0254 -2.3864 H 1 UNL1111111111 0.1513 43 H1 -1.0590 4.3815 -1.3822 H 1 UNL1111111111 0.1516 44 H2 0.7402 4.3647 -1.1646 H 1 UNL1111111111 0.1356 45 H 1.4334 -0.6968 3.8818 H 1 UNL1111111111 0.3131 46 H 2.8991 -0.3456 3.0958 H 1 UNL1111111111 0.3054 47 H 0.2805 3.8526 1.0573 H 1 UNL1111111111 0.3518 @BOND 1 1 17 2 2 2 18 2 3 3 19 2 4 4 22 1 5 4 47 1 6 5 23 2 7 6 10 1 8 6 18 am 9 6 33 1 10 7 16 1 11 7 17 am 12 7 35 1 13 8 14 1 14 8 19 am 15 8 36 1 16 9 23 am 17 9 45 1 18 9 46 1 19 10 11 1 20 10 17 1 21 10 24 1 22 11 13 1 23 11 25 1 24 11 26 1 25 12 14 1 26 12 15 1 27 12 27 1 28 12 28 1 29 13 18 1 30 13 30 1 31 13 31 1 32 14 23 1 33 14 29 1 34 15 20 1 35 15 21 1 36 15 32 1 37 16 19 1 38 16 22 1 39 16 34 1 40 20 37 1 41 20 38 1 42 20 39 1 43 21 40 1 44 21 41 1 45 21 42 1 46 22 43 1 47 22 44 1