HMDB0005026 RDKit 3D Rabeprazole 46 48 0 0 0 0 0 0 0 0999 V2000 7.0669 -2.0751 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7278 -2.0129 0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -0.7898 0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4964 0.3198 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 0.0456 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 -0.0784 -1.1425 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4006 0.6969 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5834 2.0051 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4703 2.7357 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 2.1623 0.1469 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0503 0.8829 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 0.3040 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4722 1.5300 0.4847 S 0 0 0 0 0 4 0 0 0 0 0 0 -2.5354 2.7354 -0.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0903 0.7709 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 0.1210 1.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8687 -0.3183 1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8514 -1.0249 2.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0657 -1.3487 1.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2925 -0.9459 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3356 -0.2426 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1168 0.0743 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0192 0.7314 -0.4023 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 0.1409 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 -1.2506 -1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3379 -1.3802 -0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 -1.7956 1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3507 -3.1218 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2287 -0.8647 1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 -0.4562 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5844 0.4456 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 1.2485 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 -0.8585 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8984 0.9183 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 2.5570 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 3.7733 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 -0.1666 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 -0.5280 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6556 -1.3277 3.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8330 -1.9036 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2617 -1.2080 -0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5571 0.0483 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9108 1.1495 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 -1.3139 -2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0377 -1.7348 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 -1.8315 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 11 24 2 0 24 25 1 0 24 7 1 0 23 15 1 0 22 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 8 35 1 0 9 36 1 0 12 37 1 0 12 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 23 43 1 0 25 44 1 0 25 45 1 0 25 46 1 0 M END