HMDB0251940 RDKit 3D Esaprazole 39 40 0 0 0 0 0 0 0 0999 V2000 1.0925 1.0446 -1.5332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 0.2980 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 0.6405 -1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3054 -0.1951 -0.7347 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6152 0.2591 -1.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0968 1.3079 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5919 0.6208 0.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6863 -0.4780 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 -0.1659 0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -0.6651 -0.2025 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -0.9862 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5499 -1.3027 -1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8237 -0.5905 -1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4541 -0.0292 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -0.2292 1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 0.1415 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 1.2624 -2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4283 0.5208 -2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 1.7203 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3319 -0.5794 -1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5246 0.7028 -2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2883 1.9767 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8896 1.9187 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5578 0.2803 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -0.7039 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 -1.4192 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -0.9398 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 0.8097 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 -1.8791 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 -1.1311 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.4111 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 0.2426 -1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5779 -1.2660 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 1.0840 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4926 -0.4405 0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 -1.2622 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 0.5251 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2738 1.1081 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 0.2102 1.8938 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 1 0 8 9 1 0 2 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 9 4 1 0 16 11 1 0 1 17 1 0 3 18 1 0 3 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 M END