HMDB0028991 RDKit 3D Phenylalanylaspartic acid 36 36 0 0 0 0 0 0 0 0999 V2000 -0.4815 -0.9065 -1.0211 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 0.3229 -0.3949 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7819 0.1111 0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9948 -0.5705 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 0.1424 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2044 -0.4694 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2514 -1.8403 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1757 -2.5998 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0568 -1.9465 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3185 1.1367 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 2.2417 0.5575 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 0.7043 -0.2422 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 1.4749 0.1285 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6635 0.8126 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1841 -0.5025 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9534 -1.0202 -0.3805 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9827 -1.2103 1.6256 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6183 1.8975 -1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2669 1.5720 -2.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 2.6459 -0.8455 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -1.4809 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 -0.8809 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4205 0.9213 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 -0.5837 1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 1.0964 1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0312 1.2325 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0532 0.0893 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1471 -2.3248 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1846 -3.6614 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -2.5520 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.2159 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4204 2.4182 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 0.6293 2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4587 1.5216 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6734 -1.8777 1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 3.6727 -0.8443 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 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 2 0 15 17 1 0 13 18 1 0 18 19 2 0 18 20 1 0 9 4 1 0 1 21 1 0 1 22 1 0 2 23 1 6 3 24 1 0 3 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 12 31 1 0 13 32 1 1 14 33 1 0 14 34 1 0 17 35 1 0 20 36 1 0 M END