HMDB0264041 RDKit 3D PA(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,13E)+=O(15)) 118117 0 0 0 0 0 0 0 0999 V2000 -13.7535 4.9126 -2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8301 4.0269 -1.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0596 3.8572 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1778 3.2486 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8405 3.6038 1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7477 3.5727 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7553 2.6790 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7098 1.6673 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4901 1.8389 2.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5538 0.9320 2.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6224 -0.3720 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3969 -0.4699 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1159 -0.5184 1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9289 -0.5049 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 -1.5570 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0871 -1.7595 -1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 -2.1411 -1.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8754 -1.1808 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 0.0257 -0.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 -1.6378 -0.1674 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2791 -0.8987 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.8092 0.8192 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9799 -3.1536 1.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -3.6866 0.5336 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 -5.1898 1.1029 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1006 -5.1205 2.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 -6.3150 1.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7516 -5.7764 0.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 -1.3179 1.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 -1.0702 1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1284 -1.2827 0.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 -0.5764 2.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1177 -1.1316 2.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -2.6214 2.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 -3.4128 1.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -4.2943 0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4454 -4.7819 0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 -4.4793 1.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6652 -3.9398 1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3449 -3.3988 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6477 -3.2962 -0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 -2.0949 -1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0717 -0.8830 -1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 0.3262 -1.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5608 1.4837 -1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2027 1.3883 0.0871 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4479 2.8316 -1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7796 3.5593 -1.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7586 4.9583 -2.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4320 5.0520 -3.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4709 6.5397 -3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4022 5.5427 -1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8896 4.3442 -2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1216 5.5733 -3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8120 4.3229 -2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6876 2.9784 -2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4527 4.8766 0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0608 3.2268 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8192 3.2355 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2425 2.0962 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9439 4.7870 1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5752 3.2192 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6178 4.2781 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9349 2.7009 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6099 1.6670 1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7778 0.6849 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3169 2.7865 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6749 1.1621 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4774 -1.1733 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5085 -0.5345 0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3961 0.3264 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 -1.4493 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9822 0.3758 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9765 -1.4038 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -0.7171 1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8081 0.5138 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0989 -1.3470 -1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -2.5747 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4905 -2.5728 -2.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0499 -0.8626 -2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 -3.1020 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1975 -2.4074 -2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 -0.5956 1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6193 -0.0303 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9113 -1.9759 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 -2.9420 2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -3.8419 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5635 -5.9207 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 -6.7681 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 0.5568 2.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 -0.7440 3.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 -0.5289 2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -0.9793 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2735 -2.8569 2.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 -2.6771 3.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.2903 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3753 -4.7832 0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -4.8701 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2932 -5.9646 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3789 -4.8137 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3510 -3.8386 2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3361 -4.0038 0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7833 -2.4016 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -4.1447 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9737 -2.0942 -2.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 -0.8076 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4324 0.4239 -2.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2691 2.7354 -2.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6504 3.4459 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5531 3.0112 -2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1110 3.5229 -0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 5.3947 -1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 5.5593 -1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1467 4.5257 -4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4218 4.6495 -3.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5321 6.7814 -4.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4673 7.1470 -2.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3711 6.7340 -4.4691 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 22 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 6 23 86 1 0 23 87 1 0 27 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 42105 1 0 43106 1 0 44107 1 0 47108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 51118 1 0 M END