HMDB0256435 RDKit 3D Phenylalanyl-prolyl-arginine nitrile 58 59 0 0 0 0 0 0 0 0999 V2000 4.7276 2.0718 2.3666 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9986 1.3915 1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 0.5089 1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3232 -0.8872 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -1.2735 1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1148 -1.2418 -0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 -1.6380 -0.3102 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3615 -0.8713 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9889 0.3753 -1.4145 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7098 -1.3008 -0.9588 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 0.9884 1.3414 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6455 2.3337 0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 2.1955 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 0.7435 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 0.2868 0.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 0.6942 1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6516 1.4996 2.2033 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8564 0.1935 0.7515 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 0.5925 1.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0657 1.4012 2.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3598 0.0768 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5141 0.5697 1.5181 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5177 0.4164 -0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8391 -0.1584 -1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0033 0.5798 -0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2299 0.0826 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3370 -1.2080 -1.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1920 -1.9606 -1.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9743 -1.4404 -1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2645 0.5639 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 -1.6382 1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1463 -1.0267 2.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -2.3249 1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.6436 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 -0.2716 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 -1.9643 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 0.5438 -2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8051 1.2087 -0.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9323 -2.1556 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4711 -0.7717 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 2.9671 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 2.8325 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 2.4719 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2199 2.8085 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1799 0.6006 -1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 0.2065 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 -0.8256 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 -0.4777 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -1.0275 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 1.5578 1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -0.0751 2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 1.5050 -0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6832 -0.0847 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9119 1.6014 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1171 0.6893 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3202 -1.5947 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2664 -2.9629 -2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0439 -2.0155 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 8 10 1 0 3 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 15 11 1 0 29 24 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 18 48 1 0 21 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 25 54 1 0 26 55 1 0 27 56 1 0 28 57 1 0 29 58 1 0 M END