HMDB0015021 RDKit 3D Isosorbide Dinitrate 24 25 0 0 0 0 0 0 0 0999 V2000 -4.4840 -0.7835 1.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -0.3618 0.1795 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7668 -0.3686 -0.9547 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7283 0.1049 0.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6837 -0.4761 -0.5871 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9971 0.5387 -1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2921 0.6813 -1.0199 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 0.2669 0.2833 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5639 -0.9276 0.3170 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1242 -2.0118 -0.1525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4568 -1.7099 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6987 -0.4472 0.5656 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7911 0.2933 0.1044 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8102 0.5964 0.9891 N 0 0 0 0 0 4 0 0 0 0 0 0 5.0007 0.5688 0.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5569 0.9381 2.3025 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0570 -1.3455 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0617 0.1567 -2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 1.5269 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1423 1.0187 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.1215 1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1256 -2.5393 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6607 -1.4196 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7392 -0.7342 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 9 5 1 0 12 8 1 0 5 17 1 6 6 18 1 0 6 19 1 0 8 20 1 1 9 21 1 1 11 22 1 0 11 23 1 0 12 24 1 1 M CHG 4 2 1 3 -1 14 1 16 -1 M END