HMDB0034109 RDKit 3D Frenolicin B 40 43 0 0 0 0 0 0 0 0999 V2000 -3.9407 -2.7302 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 -1.5693 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 -1.2848 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3298 -0.1245 -0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 1.0137 -0.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 2.1076 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 3.4319 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9112 4.3059 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 5.5312 -0.3502 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0695 3.5149 0.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 2.2150 0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 1.1434 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 0.0550 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 -1.0710 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5609 -2.1030 -1.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 -1.0080 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2401 -2.0503 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -3.2062 -0.9193 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5734 -1.9025 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0209 -0.7709 0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 0.2449 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 0.1572 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 1.2604 0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 2.2827 1.4159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 -3.6635 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5088 -2.7451 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 -2.6641 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2338 -1.8719 -1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9422 -0.6456 -0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -0.9144 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 -2.1830 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -0.4114 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 2.1393 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 3.4011 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 3.7271 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 2.1701 1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0874 -3.5365 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 -2.7338 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0519 -0.6749 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 1.1636 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 13 4 1 0 22 16 1 0 11 6 1 0 23 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 11 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 M END