HMDB0242231 RDKit 3D ((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine 59 59 0 0 0 0 0 0 0 0999 V2000 5.5886 -0.5631 -2.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5786 0.0778 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 0.4974 -1.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 1.1930 -0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 0.6455 0.3726 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 1.0868 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2585 1.9988 -0.6232 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 0.5568 0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 0.7115 2.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 0.1625 3.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 0.8278 3.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 -1.0780 3.8184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 1.1911 0.6355 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 0.3931 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -0.8607 0.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 1.0349 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 0.0531 -0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 -0.8980 0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 -1.7782 0.1417 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0301 -1.5625 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6381 -0.3427 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9716 -0.2232 -0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7515 -1.3165 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1357 -1.1065 -1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8857 -2.0667 -1.6149 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6855 0.2024 -1.2103 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1015 -2.5240 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7812 -2.6831 -0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 1.9118 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6657 1.9857 1.7031 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 2.5003 -0.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7229 -0.9872 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 -1.4127 -2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1785 0.1332 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8753 -0.6916 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6824 0.5641 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0806 -0.3320 -2.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6809 1.3967 -2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5246 1.9642 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0018 -0.1070 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 -0.5335 0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 1.7735 2.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.0646 2.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 -1.8914 3.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 2.2156 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 1.6487 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1132 1.7897 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 -0.5879 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2094 0.5501 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -1.4496 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 -0.2903 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1143 0.5741 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4487 0.7415 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5461 -3.0379 -1.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2662 1.0218 -1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5674 0.4158 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6706 -3.4099 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3114 -3.6528 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9608 3.5028 -0.2207 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 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 8 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 3 24 26 1 0 23 27 1 0 27 28 2 0 4 29 1 0 29 30 2 0 29 31 1 0 28 20 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 12 44 1 0 13 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 21 52 1 0 22 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 31 59 1 0 M END