HMDB0028702 RDKit 3D Arginylalanine 36 35 0 0 0 0 0 0 0 0999 V2000 -3.9123 -1.8811 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7452 -0.8457 0.3583 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3210 -0.6390 0.6476 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 0.6145 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4006 1.5635 0.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 0.8239 0.7342 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2175 -0.4435 1.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 1.1895 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 1.4694 -0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 0.3494 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0966 0.7401 -0.0701 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 0.9555 -1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 1.8561 -1.4332 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4497 0.1856 -2.4724 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4304 -1.2904 1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 -1.4391 2.6443 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7837 -1.5628 1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -2.3298 -0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5975 -2.6660 -0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3525 -1.4482 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1945 0.1035 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -1.4941 1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 1.6349 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 -1.1449 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -0.7463 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 0.4146 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 2.1363 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 1.7313 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 2.4141 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 0.0996 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5355 -0.5287 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6199 0.8638 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1757 2.0431 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9986 -0.7461 -2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6564 0.5147 -3.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1372 -2.4976 1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 12 14 1 0 2 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 6 3 22 1 0 6 23 1 1 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 17 36 1 0 M END