@MOLECULE l-valyl-l-alanyl-l-prolylglycine 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0137 -0.6739 -0.4246 O.2 2 ALA2222222222 -0.5673 2 O 3.2133 1.1806 0.9100 O.2 3 PRO3333333333 -0.5200 3 O -4.0594 0.8341 1.0855 O.2 1 VAL1111111111 -0.5587 4 O 3.7087 -2.7309 -0.4372 O.3 4 GLY4444444444 -0.5488 5 OXT 5.5918 -2.8361 0.7541 O.2 4 GLY4444444444 -0.4963 6 N 0.5826 1.4703 -0.1567 N.am 3 PRO3333333333 -0.4862 7 N -2.2800 -0.5420 0.8681 N.am 2 ALA2222222222 -0.5952 8 N 3.7488 -0.1398 -0.8528 N.am 4 GLY4444444444 -0.5750 9 N -5.8245 -1.3431 0.8548 N.3 1 VAL1111111111 -0.6222 10 CA 1.7573 1.3263 -1.0194 C.3 3 PRO3333333333 0.0247 11 CB 2.1005 2.7714 -1.4427 C.3 3 PRO3333333333 -0.2781 12 CG 1.5590 3.6624 -0.3072 C.3 3 PRO3333333333 -0.2738 13 CD 0.5373 2.8002 0.4727 C.3 3 PRO3333333333 -0.0498 14 C -0.1845 0.3808 0.1568 C.2 2 ALA2222222222 0.5420 15 C 2.9334 0.7673 -0.1935 C.2 3 PRO3333333333 0.5491 16 CA -1.3192 0.5163 1.1875 C.3 2 ALA2222222222 0.0408 17 CA -4.5137 -1.3603 0.1865 C.3 1 VAL1111111111 -0.0384 18 CB -0.7409 0.3239 2.5910 C.3 2 ALA2222222222 -0.4585 19 CB -4.6785 -1.1567 -1.3466 C.3 1 VAL1111111111 -0.0677 20 C -3.6183 -0.2457 0.7419 C.2 1 VAL1111111111 0.5346 21 CA 4.9060 -0.6946 -0.1595 C.3 4 GLY4444444444 -0.1423 22 CG1 -3.4052 -1.5816 -2.0852 C.3 1 VAL1111111111 -0.4675 23 CG2 -5.0318 0.2887 -1.7053 C.3 1 VAL1111111111 -0.4544 24 C 4.8054 -2.1758 0.1288 C.2 4 GLY4444444444 0.6100 25 HA 1.5099 0.6702 -1.8909 H 3 PRO3333333333 0.1733 26 HB1 3.1825 2.9147 -1.5949 H 3 PRO3333333333 0.1539 27 HB2 1.6111 3.0139 -2.4033 H 3 PRO3333333333 0.1531 28 HG1 1.0981 4.5811 -0.7022 H 3 PRO3333333333 0.1461 29 HG2 2.3816 3.9794 0.3591 H 3 PRO3333333333 0.1557 30 HD1 -0.4883 3.2127 0.4005 H 3 PRO3333333333 0.1434 31 HD2 0.8194 2.7322 1.5464 H 3 PRO3333333333 0.1476 32 HA -1.8261 1.5195 1.1085 H 2 ALA2222222222 0.1822 33 H -1.8780 -1.4029 0.5102 H 2 ALA2222222222 0.3355 34 HA -4.0597 -2.3700 0.3700 H 1 VAL1111111111 0.1579 35 HB1 -1.5203 0.4393 3.3575 H 2 ALA2222222222 0.1709 36 HB2 0.0487 1.0523 2.8076 H 2 ALA2222222222 0.1562 37 HB3 -0.3088 -0.6781 2.7202 H 2 ALA2222222222 0.1670 38 HB -5.5211 -1.8207 -1.6692 H 1 VAL1111111111 0.1571 39 H 3.4073 -0.6727 -1.6423 H 4 GLY4444444444 0.3260 40 HA1 5.8237 -0.5072 -0.7755 H 4 GLY4444444444 0.1790 41 HA2 5.0776 -0.1573 0.8158 H 4 GLY4444444444 0.2111 42 HG11 -2.5377 -0.9732 -1.8006 H 1 VAL1111111111 0.1570 43 HG12 -3.1514 -2.6305 -1.8984 H 1 VAL1111111111 0.1458 44 HG13 -3.5289 -1.4604 -3.1692 H 1 VAL1111111111 0.1517 45 HG21 -4.2183 0.9843 -1.4644 H 1 VAL1111111111 0.1555 46 HG22 -5.2434 0.3879 -2.7752 H 1 VAL1111111111 0.1438 47 HG23 -5.9186 0.6361 -1.1624 H 1 VAL1111111111 0.1509 48 H1 -5.7353 -1.5159 1.8473 H 1 VAL1111111111 0.2521 49 H2 -6.2967 -0.4534 0.7374 H 1 VAL1111111111 0.2637 50 H 3.5929 -3.6917 -0.2169 H 4 GLY4444444444 0.3625 @BOND 1 1 14 2 2 2 15 2 3 3 20 2 4 4 24 1 5 4 50 1 6 5 24 2 7 6 10 1 8 6 13 1 9 6 14 am 10 7 16 1 11 7 20 am 12 7 33 1 13 8 15 am 14 8 21 1 15 8 39 1 16 9 17 1 17 9 48 1 18 9 49 1 19 10 11 1 20 10 15 1 21 10 25 1 22 11 12 1 23 11 26 1 24 11 27 1 25 12 13 1 26 12 28 1 27 12 29 1 28 13 30 1 29 13 31 1 30 14 16 1 31 16 18 1 32 16 32 1 33 17 19 1 34 17 20 1 35 17 34 1 36 18 35 1 37 18 36 1 38 18 37 1 39 19 22 1 40 19 23 1 41 19 38 1 42 21 24 1 43 21 40 1 44 21 41 1 45 22 42 1 46 22 43 1 47 22 44 1 48 23 45 1 49 23 46 1 50 23 47 1