HMDB0257184 RDKit 3D RETRONECINE 24 25 0 0 0 0 0 0 0 0999 V2000 3.0304 0.7693 1.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 0.9768 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3205 0.0047 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2254 -0.8833 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -1.6674 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 -1.2641 0.1831 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 -0.9780 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1482 0.4441 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 1.0719 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 1.6088 -0.7417 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 -0.1030 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 -0.1942 1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2226 0.8842 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0043 1.9986 0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 -1.0331 -2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 -2.7346 -1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 -1.4245 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -1.6419 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 -1.1580 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 0.4957 1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 1.0219 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 1.8184 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 2.2960 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 -0.3083 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 9 11 1 0 11 3 1 0 11 6 1 0 1 12 1 0 2 13 1 0 2 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 M END