HMDB0014732 RDKit 3D Amiloride 23 23 0 0 0 0 0 0 0 0999 V2000 2.5277 1.2125 0.5182 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 0.1893 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 0.3932 -1.4521 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 -0.9256 -0.4594 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 -1.1879 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 -1.9271 1.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2385 -0.6271 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 0.1673 -0.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8866 0.6607 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3669 1.6967 -1.9529 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8039 0.3751 0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1153 0.9270 0.2561 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4252 -0.4197 1.3719 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 -0.9195 1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -1.7601 2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 1.3573 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6924 1.8181 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 1.1305 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -0.1897 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5216 1.5366 1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6492 0.6902 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 -1.3971 3.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 -2.8006 2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 14 7 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 12 20 1 0 12 21 1 0 15 22 1 0 15 23 1 0 M END