HMDB0014573 RDKit 3D Carboprost Tromethamine 62 62 0 0 0 0 0 0 0 0999 V2000 4.3723 4.5974 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 3.0945 0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 2.7508 0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 1.2769 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 0.8040 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7887 -0.6727 -1.0130 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4381 -1.5299 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -0.9880 -2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3116 -0.9162 -1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -2.1132 -0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 -2.3768 -0.8691 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8726 -3.5149 -1.8732 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1858 -4.4173 -1.8163 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1538 -4.1473 -1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8954 -4.1542 0.1371 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0781 -4.3215 0.8451 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -2.8736 0.4460 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1105 -1.8600 1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4152 -0.5968 1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7313 0.5879 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 0.7550 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 1.6968 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 3.0550 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1989 3.9974 1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3888 3.6596 1.8375 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8051 5.2744 1.8361 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 4.8470 1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3885 4.8913 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 5.1114 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6157 2.8432 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8588 2.5751 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 3.1950 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 3.2346 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.1690 0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8918 0.7047 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1104 0.9798 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 1.3419 -1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 -2.5796 -0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 -1.5624 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5023 -1.2262 0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9713 -1.8612 -2.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -0.1115 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -2.9255 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 -1.5207 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 -3.1464 -2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0971 -5.2448 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 -3.5412 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 -5.1907 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -5.0592 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8384 -4.3002 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 -3.1134 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 -1.8152 0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -2.3122 2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5233 -0.6410 2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 1.4522 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 1.3313 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -0.1345 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8165 1.7744 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 1.2905 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3686 2.9947 1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9135 3.4734 -0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3739 6.0091 2.1897 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 6 8 1 6 6 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 17 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 7 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 6 12 45 1 6 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 6 16 50 1 0 17 51 1 1 18 52 1 0 18 53 1 0 19 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 26 62 1 0 M END