HMDB0249499 RDKit 3D Isophthalamide, N,N'-bis(2,3-dihydroxypropyl)-5-(N-(2-hydroxyethyl)acetamido)... 56 56 0 0 0 0 0 0 0 0999 V2000 0.2595 2.0175 -3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0652 3.1553 -2.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 4.2890 -3.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 2.9550 -1.0664 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6657 4.1400 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5581 4.8241 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0575 5.9522 0.9559 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 1.6641 -0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 0.9920 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7057 2.0630 -0.9419 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 -0.2823 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2715 -1.0654 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -1.9945 1.0864 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -0.9658 -0.5415 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -1.8924 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -1.6272 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1763 -0.3253 -0.9627 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 -1.8879 -2.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4735 -1.6976 -3.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -0.9132 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 -2.8902 1.2412 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -0.2693 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5041 -1.0255 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 -2.2849 0.5296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6808 -0.5380 1.2928 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8534 -1.2631 1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6817 -2.2845 2.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7996 -3.2625 2.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0012 -2.9408 3.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7962 -3.8233 4.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3605 0.9920 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 1.9789 -0.4838 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1858 1.0753 -2.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.9735 -4.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 2.1724 -3.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3117 3.9043 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 4.8834 -0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0948 4.1679 0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 5.2336 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 6.3964 0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6103 -0.2921 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 -1.6838 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2034 -2.9235 -0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6024 -2.2668 -0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3275 0.1254 -1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5499 -1.1964 -2.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9497 -2.9162 -2.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5509 -2.4528 -3.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7025 0.5076 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6582 -0.5556 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -1.7569 0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 -1.8119 3.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1962 -3.9823 1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7680 -2.1718 3.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3617 -3.4721 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 -4.7465 3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 4 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 11 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 22 31 2 0 31 32 1 0 31 8 1 0 1 33 1 0 1 34 1 0 1 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 25 49 1 0 26 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 29 55 1 0 30 56 1 0 M END