HMDB0059910 RDKit 3D (E)-Calamene 37 38 0 0 0 0 0 0 0 0999 V2000 -1.5041 3.7770 -0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 2.3304 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 1.5525 -0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6231 0.1986 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 -0.3470 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 0.3923 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 1.7274 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9541 -0.2932 0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 0.4524 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -0.4524 0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5311 0.7441 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -1.6634 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1865 -2.3323 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -1.7834 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -2.5509 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 4.0025 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1433 4.3094 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5565 4.0785 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5844 2.0149 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 -0.3859 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 2.3025 -0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 -0.4828 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 1.3758 1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 -1.3969 0.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 -0.5239 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 0.1298 0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 0.8538 -1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0765 1.7075 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -0.0189 -1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6403 -2.3514 0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -1.6354 -0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 -2.0855 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 -3.4293 -0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9451 -1.8174 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -2.0924 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4195 -3.5430 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 -2.7636 -0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 7 2 1 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 M END