C(CC(C(C(CO)O)O)=O)=O Actelion Java MolfileCreator 1.0 21 20 0 0 1 0 0 0 0 0999 V2000 1.7185 1.1715 -0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9818 1.1225 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 0.8919 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 1.3208 1.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 1.0682 1.2308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 -0.5096 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4872 0.0919 2.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -0.7103 -0.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 -0.7196 -2.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 -1.0371 1.9357 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 -2.0122 -2.4273 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9195 1.6636 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 1.6322 1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 2.1295 2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0189 0.5229 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3797 -1.2877 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 0.2502 3.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 -1.4442 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 0.0132 -2.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6442 -0.6716 -2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 -2.6651 -2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 9 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 21 1 0 0 0 0 M END > C(CC(C(C(CO)O)O)=O)=O $$$$ C(C(C(CC(CO)O)=O)O)=O Actelion Java MolfileCreator 1.0 21 20 0 0 1 0 0 0 0 0999 V2000 1.6402 -0.3123 -0.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.0467 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 -0.2884 -2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6266 0.4926 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 0.7699 -2.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8412 -0.4820 -2.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 0.4649 1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 0.2442 -3.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5921 1.2298 2.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6177 -0.9535 2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.8878 3.5319 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0915 -1.2095 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 1.5248 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -0.0845 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 1.3098 -3.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -1.3247 -2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4183 0.9316 1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 2.1666 1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 -1.4264 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 -1.5907 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 -0.1679 3.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 M END > C(C(C(CC(CO)O)=O)O)=O $$$$ C(CC(C=O)O)(C(CO)O)=O Actelion Java MolfileCreator 1.0 21 20 0 0 1 0 0 0 0 0999 V2000 -1.3268 0.4681 1.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2846 0.5104 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 1.7900 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 -0.6966 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 1.6357 1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 2.2586 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -1.9852 0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 2.4832 -1.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 -3.0277 0.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7161 -2.3324 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9862 -3.4316 -0.4591 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 2.5588 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 -0.5959 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 -0.6999 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 1.0684 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 1.5205 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 3.1836 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3532 -1.9257 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 3.2676 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0568 -3.8401 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 -1.5625 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 M END > C(CC(C=O)O)(C(CO)O)=O $$$$ C(C(C(C=O)O)O)(CCO)=O Actelion Java MolfileCreator 1.0 21 20 0 0 1 0 0 0 0 0999 V2000 0.6244 -1.3273 1.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0846 -0.3776 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 1.0569 0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -0.5668 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 1.1471 2.2527 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 1.4927 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 -1.9080 -0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 0.9765 0.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 1.0867 -1.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0091 -2.0348 -0.9693 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 0.8176 -1.9771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4563 1.7345 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 -0.4815 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7578 0.2372 -0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 0.2517 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 2.5837 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9981 -1.9879 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 -2.7358 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8419 1.1746 1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 1.1229 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -2.8813 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 2 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 M END > C(C(C(C=O)O)O)(CCO)=O $$$$ C(C(C(CC(CO)=O)O)O)=O Actelion Java MolfileCreator 1.0 21 20 0 0 1 0 0 0 0 0999 V2000 -0.2341 -1.0928 2.2648 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6457 -0.5895 1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 0.2029 2.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -0.6745 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 -0.0216 3.5746 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 0.4171 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3468 1.6705 -0.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7597 0.2193 -1.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4618 1.3913 -2.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -1.0136 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2045 -2.0892 -2.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 -0.1077 1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 1.2695 2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 -1.6779 -0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5906 -0.5752 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 -0.2453 3.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 0.5029 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0268 2.2702 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 0.1270 -2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2412 1.5243 -1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 -0.9120 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 M END > C(C(C(CC(CO)=O)O)O)=O $$$$ C(C(C(C(C(C)=O)O)O)O)=O Actelion Java MolfileCreator 1.0 21 20 0 0 1 0 0 0 0 0999 V2000 -2.1114 0.1563 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 0.8752 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 0.3026 -1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 2.3458 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 1.0705 -0.9572 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 -1.1374 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6855 -2.0451 -1.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -1.3168 0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -2.6775 1.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6228 -0.4079 1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 0.6107 2.1306 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2388 0.2768 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 2.6109 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 2.5831 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 2.9208 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 1.8845 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 -1.4822 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5358 -1.6911 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 -1.1398 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 -3.2179 0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6584 -0.6799 1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 M END > C(C(C(C(C(C)=O)O)O)O)=O $$$$ C(CC(C(C(C=O)O)O)O)=O Actelion Java MolfileCreator 1.0 21 20 0 0 1 0 0 0 0 0999 V2000 1.4868 0.7823 2.1134 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 0.9450 2.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6609 1.2426 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8517 1.8470 1.6409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0335 -0.0488 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 0.2899 -0.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 -0.8151 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 -1.9100 -0.9789 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 0.0210 -1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -0.7664 -1.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1921 -1.9882 -1.7325 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 0.8016 3.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 1.9791 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5213 1.7214 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 -0.7246 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 -0.5361 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7786 -1.2475 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2566 -2.4735 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 0.3429 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 0.9029 -0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.1781 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 M END > C(CC(C(C(C=O)O)O)O)=O $$$$ C(CO)=O Actelion Java MolfileCreator 1.0 8 7 0 0 0 0 0 0 0 0999 V2000 1.4295 -1.5801 -0.0752 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5693 -0.7779 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0575 0.3473 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 0.5583 0.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -0.7889 -1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 0.0991 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 1.2673 0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 1.0197 -0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > C(CO)=O $$$$ C(C(C(CO)O)O)=O Actelion Java MolfileCreator 1.0 16 15 0 0 1 0 0 0 0 0999 V2000 1.4673 0.5404 2.4722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 -0.2536 1.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 0.0785 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 -0.7139 -0.5453 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3726 -0.2584 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 -0.1382 -1.8535 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4679 0.6731 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7169 0.2941 -0.4713 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7644 -1.2772 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 1.1323 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 -0.3896 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 -1.3022 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 -0.5904 -2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5662 0.6182 1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 1.7118 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 0.1942 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 M END > C(C(C(CO)O)O)=O $$$$ C(CO)(C(C(C(CO)O)O)O)=O Actelion Java MolfileCreator 1.0 24 23 0 0 1 0 0 0 0 0999 V2000 0.2333 -1.0115 -1.6343 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 -0.7239 -0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8131 -0.4562 0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 -0.6330 -1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -1.4633 1.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 -0.5045 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 -0.5615 -2.6436 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 -1.8752 0.8167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 0.4627 0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 0.5367 0.8959 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0663 1.8899 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 2.3926 1.3804 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 0.5155 0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.2692 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1081 -1.5165 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 -2.1945 1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8096 -0.3170 2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0384 -1.1647 -3.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2704 -2.0163 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 0.0658 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5453 0.8083 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8183 2.5570 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 1.9366 -0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 2.2528 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > C(CO)(C(C(C(CO)O)O)O)=O $$$$ C(C(C1C(C(C(O)O1)O)O)O)O Actelion Java MolfileCreator 1.0 24 24 0 0 1 0 0 0 0 0999 V2000 0.6297 -0.6297 -0.9446 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8354 -0.3106 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4504 -0.6452 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 0.5240 -1.0433 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4139 0.3822 1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 -0.4433 1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.4533 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 0.4216 2.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5943 -1.7177 1.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 0.4007 0.6153 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0029 0.2925 -1.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 0.5994 -2.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3927 -1.2336 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 -1.6295 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 1.3153 -1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 1.4198 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4466 0.0398 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 1.4367 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 0.5273 1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -2.1125 2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1799 1.1104 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8479 0.9687 -1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 -0.7237 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 -0.0023 -2.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > C(C(C1C(C(C(O)O1)O)O)O)O $$$$ C(C1C(C(C(C(O)O1)O)O)O)O Actelion Java MolfileCreator 1.0 24 24 0 0 1 0 0 0 0 0999 V2000 0.7096 1.1041 0.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 1.2688 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0982 0.4071 1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8845 1.9890 -2.0352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3327 -0.0909 -1.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 -1.0221 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 0.4197 2.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8858 -0.7516 -2.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 -0.9627 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7964 -1.7859 0.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 1.7652 2.8069 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4413 -0.4414 -0.6409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8719 1.8781 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 0.9785 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4423 1.3013 -2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 0.0823 -2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -1.5370 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -0.0040 2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 -0.1333 3.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 -1.0869 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1991 -1.9751 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 -2.0300 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2022 2.2549 2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0234 -1.1867 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 6 9 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > C(C1C(C(C(C(O)O1)O)O)O)O $$$$ C1C(C(C(C(C(O)O1)O)O)O)O Actelion Java MolfileCreator 1.0 24 24 0 0 1 0 0 0 0 0999 V2000 -1.2621 0.1577 1.4989 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -1.1674 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 1.1474 0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 -1.8433 2.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2725 -1.3954 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 1.7428 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 -2.7969 -0.3551 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0301 -0.5817 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 3.0089 -0.5214 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 0.8687 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 -0.6334 0.8692 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1713 0.8996 -2.1145 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0267 -1.6612 0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0257 1.9431 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 0.7788 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 -1.4056 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 -1.1782 -1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 1.9298 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 -3.0896 0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6589 -1.0752 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 2.7917 -1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 1.3651 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.3191 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7879 0.4907 -2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 8 10 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > C1C(C(C(C(C(O)O1)O)O)O)O $$$$