HMDB0258334 RDKit 3D Skimmin 39 41 0 0 0 0 0 0 0 0999 V2000 6.3715 0.1723 -1.9896 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5653 0.2206 -1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0472 0.3965 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 0.4453 1.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 0.3163 1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9053 0.3584 2.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 0.2282 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 0.0512 0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -0.0664 0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 -0.2516 -0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 0.8727 -1.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 0.8938 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 2.1829 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 2.1361 1.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -0.2394 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7398 -0.1705 0.7081 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 -1.5095 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0358 -1.5943 -1.4699 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7245 -1.5474 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 -2.2041 -2.0397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 0.0120 -0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 0.1411 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 0.1049 -1.1787 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 0.4954 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4934 0.5819 2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2328 0.4963 3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 0.2663 2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 -0.2887 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7697 0.9191 -1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 2.2230 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9659 3.0511 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 2.6449 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 -0.2852 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3146 -0.2114 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 -2.3537 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 -1.4353 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 -2.2203 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 -1.4879 -2.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -0.1206 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 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 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 21 1 0 21 22 2 0 22 23 1 0 23 2 1 0 22 5 1 0 19 10 1 0 3 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 10 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 M END