HMDB0014865 RDKit 3D Nitroglycerin 20 19 0 0 0 0 0 0 0 0999 V2000 -0.6893 3.7679 1.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 2.9292 0.2696 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8717 3.2870 -0.7393 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5615 1.6503 0.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 0.6235 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 -0.7174 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -0.7656 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7653 0.0879 0.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0849 0.1213 -0.3229 N 0 0 0 0 0 4 0 0 0 0 0 0 3.9161 0.5665 0.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -0.3066 -1.5390 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5924 -1.1085 1.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2949 -2.2322 1.5285 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6342 -3.0480 0.6322 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 -2.4655 2.8498 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1322 0.9088 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 0.5594 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0843 -1.4536 -0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 -1.8038 -0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9086 -0.6004 -1.7524 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 2 0 9 11 1 0 6 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 M CHG 6 2 1 3 -1 9 1 11 -1 13 1 15 -1 M END