HMDB0060441 RDKit 3D beta-Alanyl-L-arginine 36 35 0 0 0 0 0 0 0 0999 V2000 4.3188 1.1522 0.8162 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 1.2160 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 2.4508 -0.5106 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 0.0104 -0.5276 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 -0.9425 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -2.1720 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6412 -1.9976 -1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 -1.3551 -0.6605 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3574 -0.0310 -0.1575 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2021 0.8995 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 2.1033 0.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6294 0.7340 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 1.0396 0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1639 2.4194 1.3473 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.2054 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5105 -1.8259 1.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 -3.5188 0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 2.0370 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 3.2977 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 2.4935 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 -0.1725 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1586 -1.2088 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 -0.4564 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -2.8460 0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 -2.7335 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0064 -1.3374 -2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 -2.9815 -1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 -1.2802 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 2.9571 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -0.2875 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 1.4308 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1695 0.3385 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5306 0.9736 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 2.6151 2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7248 3.0357 0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5174 -3.8522 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 8 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 6 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 17 36 1 0 M END