HMDB0011337 RDKit 3D PE(P-16:0/15:0) 117116 0 0 0 0 0 0 0 0999 V2000 -13.6531 2.0066 -2.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4353 1.3064 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9267 1.4514 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6182 2.9139 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2269 3.2419 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0949 2.8828 -0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7731 1.4820 -1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5095 0.5986 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3343 1.1259 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0736 0.2385 2.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9197 0.7299 2.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6509 0.7888 2.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2268 -0.5297 1.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -1.5556 2.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 -1.0753 3.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -1.7090 3.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4557 -2.9214 3.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1011 -3.1269 2.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -2.0496 1.6307 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8096 -2.2995 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -3.5300 -0.1311 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5531 -3.8590 -1.4177 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4124 -2.7174 -2.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -3.9047 -0.9413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 -5.2774 -2.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5207 -6.1869 -1.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 -7.4540 -2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 -8.3381 -1.0712 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -2.0595 1.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 -0.9470 1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8023 0.0556 1.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7027 -0.8766 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 -0.1873 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 0.0082 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8391 0.8440 -0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1812 1.1275 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9051 -0.1462 -1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2584 0.0226 -2.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1899 0.8729 -1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 0.9569 -1.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6336 1.6336 -1.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6650 3.0528 -0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7646 3.5440 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0252 5.0442 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4642 5.2269 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6945 2.0091 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9756 3.0333 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4132 1.4491 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0126 1.7679 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6344 0.2269 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4202 0.9501 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7275 0.9617 0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9391 3.4512 -1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3046 3.3526 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0877 2.8770 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1905 4.3912 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1402 3.4249 -0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2751 3.3953 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7121 1.5399 -1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3396 0.9412 -1.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2094 -0.3967 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4001 0.4468 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5780 2.1372 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4259 1.2078 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8465 -0.7909 1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9817 0.1414 2.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8091 0.0370 3.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2092 1.7446 3.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7254 1.5162 1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 1.1909 2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 -0.3540 0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0075 -0.8896 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 -2.5405 2.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8854 -1.6962 3.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0082 -0.1395 4.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -1.2828 4.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 -2.9771 3.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 -4.1412 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 -1.0662 2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -1.5152 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 -2.2165 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5912 -4.6739 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 -5.6898 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 -6.4713 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9829 -7.9383 -2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 -7.2747 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1597 -8.4507 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7746 -9.2402 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -1.9249 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3497 -0.3693 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -0.8443 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 0.7610 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6873 0.5956 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3449 -0.9814 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3515 1.8523 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 0.4179 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0085 1.7011 -2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7161 1.7805 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 -0.7262 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2897 -0.7515 -2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1497 0.5075 -3.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 -0.9777 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2044 0.3318 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6128 1.8198 -1.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2202 1.2814 -2.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 -0.1289 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4879 1.4291 -2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0536 1.0667 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7186 3.2598 -0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6388 3.7422 -1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7039 3.4183 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1164 3.0817 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7896 5.5169 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3504 5.4656 1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8483 4.3376 1.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6184 6.1523 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0461 5.3321 -0.2834 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 19 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 18 77 1 0 18 78 1 0 19 79 1 1 20 80 1 0 20 81 1 0 24 82 1 0 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 45117 1 0 M END