HMDB0258435 RDKit 3D splitomicin 25 27 0 0 0 0 0 0 0 0999 V2000 4.3206 1.0999 1.3687 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 0.8984 0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0735 -0.3025 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6947 -0.9411 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 0.0481 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 1.3525 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1137 2.3122 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4144 1.9270 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 0.6187 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9897 0.2164 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -1.0811 -0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2953 -2.0009 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 -1.5928 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 -0.2974 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1868 1.7819 0.7586 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8846 -1.0449 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 0.0035 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8202 -1.6584 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -1.5373 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1403 3.3310 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 2.6293 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 0.9346 -0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 -1.3342 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 -3.0246 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -2.3382 -0.4544 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 6 15 1 0 15 2 1 0 14 5 1 0 14 9 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 7 20 1 0 8 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END