HMDB0257522 RDKit 3D (2S)-5-(Diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]penta... 58 59 0 0 0 0 0 0 0 0999 V2000 7.5552 -0.0381 0.8176 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 0.9288 1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1896 2.2472 1.6267 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5393 0.6212 1.7833 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0644 -0.7284 1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -0.6522 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -0.0495 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -0.0400 -1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 0.7701 -0.8496 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 0.1576 -0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0655 -0.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 1.0280 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 0.4566 0.8372 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 0.0025 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3008 -0.6031 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -1.0908 -0.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3505 -0.4019 -1.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1496 -0.8727 -2.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7866 -2.0834 -2.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6121 -2.8204 -1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8095 -2.3222 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0546 0.2703 1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1363 1.6471 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8654 2.4320 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5265 1.8550 3.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4674 0.4840 3.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 -0.2717 2.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 0.4989 -2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7034 1.5310 -3.2878 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1938 -0.1908 -3.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4655 -0.3749 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 -0.4943 -0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1185 2.7232 2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6339 2.8194 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 -1.3565 1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7887 -1.2331 2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 -0.0480 1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 -1.6822 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5462 1.0205 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 -0.6036 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6783 -1.0895 -1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2809 1.7804 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 1.9507 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 1.3930 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4971 -0.8131 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 0.7924 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9686 -1.4931 0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8581 0.5644 -2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2883 -0.3089 -3.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4145 -2.4990 -3.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1107 -3.7937 -1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6478 -2.8610 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 2.0877 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 3.5192 1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0954 2.4651 3.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0033 0.0555 4.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7139 -1.3400 2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 -0.9265 -4.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 15 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 8 28 1 0 28 29 2 0 28 30 1 0 21 16 1 0 27 22 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 9 42 1 0 12 43 1 0 12 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 21 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 30 58 1 0 M END