HMDB0000561 RDKit 3D beta-Carotene 96 97 0 0 0 0 0 0 0 0999 V2000 11.2340 4.4055 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9658 3.1219 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2013 1.9867 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7755 2.1692 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8273 1.2843 -0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 1.6415 -0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0386 3.0588 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4653 0.7126 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0272 0.9521 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -0.0395 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 0.2292 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1581 1.5770 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 -0.8117 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -0.6546 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4357 -1.6262 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8301 -1.2804 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 -2.1247 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 -3.5592 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1691 -1.6270 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2877 -2.3654 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5709 -1.7259 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7304 -2.3201 0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7996 -3.7934 0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9670 -1.5107 0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1490 -2.0504 0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4079 -1.2787 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5345 -1.9420 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4589 -3.4332 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8401 -1.3200 1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6461 0.0329 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7126 0.8589 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3576 0.1880 1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5190 0.6303 2.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7850 0.7243 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9885 0.7778 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6840 0.4925 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2433 -0.4862 -1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1362 0.9231 -2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7781 2.2520 -2.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4423 3.0937 -0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6649 4.6242 -1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9985 5.2329 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6591 4.4586 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3953 3.2145 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0656 0.2545 -0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 3.2737 -0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2904 3.5241 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6185 3.6545 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8319 -0.3150 -0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 1.9484 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 -1.0609 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8484 2.3248 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 1.6864 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.9436 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 -1.8044 -0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 0.3633 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 -2.6386 -0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -0.2229 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 -3.7556 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 -4.2063 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1641 -3.9729 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3464 -0.5366 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1346 -3.4222 0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5801 -0.6160 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3578 -4.1456 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8116 -4.2426 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3455 -4.1600 1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8458 -0.4541 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1691 -3.1433 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4738 -3.8290 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9909 -3.7482 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8150 -3.8005 2.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3924 -1.1604 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5313 -1.9093 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2190 -0.1402 3.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6183 0.5414 2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1840 1.0346 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5856 1.8541 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7679 1.3680 1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0237 -0.2324 2.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1692 1.1421 2.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9705 1.4462 -0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5313 -0.0851 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5462 1.3470 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7761 0.4000 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4523 1.2492 1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3169 -0.4758 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8618 -0.9856 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0419 -1.2647 -1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5965 -0.4180 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6943 0.6541 -2.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9161 0.1558 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3358 2.8092 -2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8759 2.1774 -2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7530 4.1364 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9552 2.7642 0.0856 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 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 3 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 1 0 40 2 1 0 32 26 1 0 1 41 1 0 1 42 1 0 1 43 1 0 4 44 1 0 5 45 1 0 7 46 1 0 7 47 1 0 7 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 12 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 16 58 1 0 18 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 20 63 1 0 21 64 1 0 23 65 1 0 23 66 1 0 23 67 1 0 24 68 1 0 25 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 31 77 1 0 31 78 1 0 33 79 1 0 33 80 1 0 33 81 1 0 34 82 1 0 34 83 1 0 34 84 1 0 36 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 M END