HMDB0256293 RDKit 3D Pentrinitrol 27 26 0 0 0 0 0 0 0 0999 V2000 -3.7143 -0.6897 2.1128 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 -1.2914 1.9766 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.5434 -2.5772 2.3956 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.5862 -0.6697 1.4069 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -1.0456 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0955 -0.3047 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1308 -0.7793 -1.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2131 -0.1578 -2.4924 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 -0.6038 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 0.1665 -0.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 0.0498 0.2154 N 0 0 0 0 0 4 0 0 0 0 0 0 3.5786 0.0946 1.4447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5225 -0.1127 -0.6164 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.4015 1.1616 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6898 1.6429 0.8115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9999 2.9308 1.0805 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8420 3.6009 0.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 3.5770 2.1193 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.0999 -2.1277 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1655 -0.7681 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 -0.5824 -2.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3142 -1.8750 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9468 -0.7878 -2.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4305 -1.6790 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1101 -0.3080 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 1.7647 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2836 1.3712 -1.1319 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 6 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 6 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 5 19 1 0 5 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 14 26 1 0 14 27 1 0 M CHG 6 2 1 3 -1 11 1 13 -1 16 1 18 -1 M END