HMDB0015686 RDKit 3D Pipazethate 53 56 0 0 0 0 0 0 0 0999 V2000 -3.1181 2.8848 0.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 1.6559 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5207 1.4442 -0.1463 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5081 2.4030 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 1.7349 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0423 0.7855 0.4655 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 0.0859 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4465 0.9335 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 0.1944 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7134 -0.3260 -1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -1.2084 -1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7493 -1.4485 -0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 -1.8195 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9731 -0.6152 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 0.6672 0.1242 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5477 -0.7017 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 -1.1022 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 -2.4212 -0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -3.4057 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 -3.0192 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5006 -1.7083 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2067 -1.3435 0.1972 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2849 0.3904 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4907 0.9436 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6438 2.2978 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4717 3.0469 1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 2.4689 0.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1528 1.1392 0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 2.7469 0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 3.2907 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 1.3140 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 2.5754 -0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -0.4064 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 -0.7182 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 1.6901 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 1.4917 1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 0.5479 -2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7751 -0.8115 -1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5315 -2.1845 -1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5825 -0.8210 -2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2602 -0.4950 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4637 -2.2623 -0.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4499 -2.0748 1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 -2.6835 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 0.0071 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1344 -0.9732 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -0.4219 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 -2.7153 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7322 -4.4380 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0049 -3.7856 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3798 0.3169 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5940 2.7427 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5607 4.1113 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 2 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 14 9 1 0 28 15 1 0 21 16 1 0 28 23 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 M END