HMDB0014256 RDKit 3D Tafluprost free acid 57 58 0 0 0 0 0 0 0 0999 V2000 -6.6917 2.9205 -1.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4496 2.8548 -1.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 3.9715 -1.5983 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7311 1.6291 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6874 0.5065 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8068 -0.6870 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0552 -0.2292 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 -0.1836 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8951 -0.5834 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0254 -1.7329 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9364 -2.8853 0.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8134 -3.2535 -0.0745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 -3.9971 1.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0617 -3.7634 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 -4.6923 -1.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 -2.3410 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 -1.6701 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5703 -0.6352 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 -0.0000 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 -0.4381 0.5029 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3194 -0.3158 -1.7347 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 1.5052 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 2.1780 -0.6375 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 2.4468 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 3.3198 -1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 3.6650 -0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7845 3.1525 0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0947 2.3007 1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 1.9629 0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1186 4.8850 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 1.3202 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 1.8978 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2152 0.2503 -1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3596 0.7514 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5348 -1.4757 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2511 -0.9555 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6613 0.0909 1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 0.1692 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 -0.8141 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1659 0.2649 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4835 -1.4157 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -2.6613 1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6403 -2.8346 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4035 -3.9685 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -4.9851 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 -3.8457 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5684 -5.3490 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 -2.3586 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -2.0831 -1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 -0.2102 0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9152 1.8432 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4242 1.8195 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4623 3.7420 -1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 4.3378 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8014 3.4033 0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5363 1.8789 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3111 1.2974 1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 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 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 16 10 1 0 29 24 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 22 51 1 0 22 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 M END