HMDB0033349 RDKit 3D Casimiroin 28 30 0 0 0 0 0 0 0 0999 V2000 4.2940 0.4014 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 0.8332 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8702 -0.0049 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 -1.3732 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -2.1076 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 -3.3535 0.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -1.5304 0.0162 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 -2.3447 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 -0.1993 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 0.4314 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 1.7982 -0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 2.5735 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 1.9917 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 0.6039 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 2.0695 -0.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9096 0.9230 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 -0.1509 -0.3482 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 0.4078 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4987 -0.5810 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 1.1566 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 -1.8040 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0955 -2.2206 -1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 -3.4247 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2532 -2.0559 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 3.6367 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 2.5871 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2155 1.0131 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7884 0.7232 -0.8307 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 2 0 5 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 11 15 1 0 15 16 1 0 16 17 1 0 14 3 1 0 14 9 1 0 17 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 12 25 1 0 13 26 1 0 16 27 1 0 16 28 1 0 M END