HMDB0112262 RDKit 3D gamma-Carotene 96 96 0 0 0 0 0 0 0 0999 V2000 11.4141 0.9306 2.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3276 1.3148 1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1504 2.7721 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2065 0.5988 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6139 -0.8438 0.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4910 -1.3608 -0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -1.3040 -0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8654 -1.3175 -2.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0499 -1.2499 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -1.1530 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.2029 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3303 -1.0756 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -0.7858 -1.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3324 -1.1764 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -1.0216 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 -1.1666 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5643 -0.9587 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4404 -0.5304 -0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 -1.1190 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1467 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0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0915 1.8526 3.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4648 0.5300 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9427 0.2508 3.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0438 3.4216 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9252 3.0099 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1575 2.7805 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7866 1.1540 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9495 -1.3165 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6699 -0.9448 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0546 -0.5901 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9863 -2.3211 -0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6268 -1.9954 -2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8949 -1.7516 -2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9654 -0.2894 -2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1894 -1.3088 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4984 -1.0413 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9131 -1.3360 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5682 0.2087 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0913 -0.8873 -1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6997 -1.5336 -2.3597 H 0 0 0 0 0 0 0 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25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 38 32 1 0 1 41 1 0 1 42 1 0 1 43 1 0 3 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 8 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 11 57 1 0 13 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 18 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 20 68 1 0 21 69 1 0 22 70 1 0 24 71 1 0 24 72 1 0 24 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 29 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 34 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 39 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 40 96 1 0 M END