HMDB0302163 RDKit 3D Serylvalylglycylglutamic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -3.8125 -2.6417 0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4364 -2.2041 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -3.0532 -0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4302 -0.7358 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7972 0.1122 0.9669 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7273 0.9630 0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9647 1.7388 2.1467 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 1.2911 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0118 0.9592 0.3388 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6082 2.8261 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5883 3.1568 -1.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 -0.4179 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7686 -0.9898 -1.9013 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 0.3632 -0.1348 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 0.6256 -0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 -0.3069 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9755 -1.6786 -0.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 0.1681 0.2269 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2455 -0.6293 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 0.3145 1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7584 1.2545 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7739 2.1776 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 3.1282 1.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1017 1.9729 0.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 -1.3922 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8567 -2.1499 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4422 -1.2959 -1.7094 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 -2.0210 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5405 -2.6900 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6861 -3.6828 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -2.3634 1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -2.6185 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 -3.0978 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 -4.1200 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1632 -0.6257 -0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8984 1.6377 2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4216 0.8872 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6174 1.8033 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4938 0.2878 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 3.0752 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8841 3.2800 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7701 4.1208 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6351 -0.4414 -2.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3252 1.6546 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 0.6376 -1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4068 -2.3491 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 -1.3021 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1834 -0.2451 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9013 0.9035 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8736 1.7919 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2133 0.6026 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 2.4918 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 -1.1736 -2.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 4 12 1 0 12 13 1 0 12 14 2 3 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 19 25 1 0 25 26 2 0 25 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 13 43 1 0 15 44 1 0 15 45 1 0 17 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 24 52 1 0 27 53 1 0 M END