HMDB0009450 RDKit 3D PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:0) 120119 0 0 0 0 0 0 0 0999 V2000 -16.2629 -0.5787 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5079 0.7286 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4812 0.6038 1.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2097 0.7882 1.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6603 1.1538 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9599 2.4559 0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6937 2.5258 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7787 1.4440 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6772 1.4199 0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3210 0.4070 1.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0216 -0.8563 1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4279 -2.1021 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2508 -2.3529 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1734 -1.3688 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7383 -1.4009 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5155 -1.6917 -1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 -2.0115 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 -3.4279 -0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3319 -3.6419 -2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1397 -2.8239 -2.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0324 -3.3367 -2.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 -1.5156 -2.7665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.7212 -3.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 -0.5669 -1.9209 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3019 0.1112 -0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 0.0795 0.2531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 0.8029 1.7216 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3754 1.4549 1.5928 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9525 -0.3366 2.9755 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1655 1.9658 2.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4301 2.1080 3.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5267 3.1337 3.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 4.4326 3.1053 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 0.2259 -2.3008 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 -0.2569 -2.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -1.3900 -1.6022 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5341 0.5261 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8017 1.6391 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9757 2.4757 -1.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3479 1.9701 -1.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8818 1.3578 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3879 0.0300 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7753 -1.0916 -0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1642 -1.5465 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 -2.2133 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1987 -1.5024 1.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1370 -0.3543 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 -0.8645 0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3370 0.3948 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6852 0.0206 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1396 -0.6835 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6403 -0.5705 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6112 -1.4526 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2590 1.2361 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3089 1.4022 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7607 0.3334 2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5024 0.6744 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4175 1.1121 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9335 0.3583 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5260 3.3794 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2131 3.5317 0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2094 0.4988 -0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3063 1.8497 -1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1006 2.3512 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4763 0.5732 2.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0714 -0.7360 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3267 -1.0363 2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0828 -3.0519 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9803 -3.4333 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3754 -0.3279 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 -1.6746 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4912 -1.1702 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3025 -1.6874 -2.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 -1.7177 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 -1.3696 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7236 -4.1791 -0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1463 -3.6235 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -4.7362 -2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -3.4279 -2.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 0.2580 -3.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5359 -1.1429 -3.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2898 -1.5232 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4798 -0.5694 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 1.1171 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5686 -1.1044 2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.1503 3.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5141 2.5153 3.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 2.8297 3.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 3.2437 4.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 4.5690 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 4.5585 3.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3904 -0.1485 -2.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 0.9019 -3.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 2.3777 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6044 1.4070 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8562 3.1097 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9111 3.3106 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0359 2.8547 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 1.2868 -2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0097 1.3060 -0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7193 2.0534 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2568 0.0327 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7197 -0.1335 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -1.9859 -0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3928 -0.9444 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8069 -0.7020 -1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1697 -2.2821 -1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8695 -2.6670 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 -3.1657 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8157 -2.2924 1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3639 -1.2114 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8116 0.4012 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4064 0.1122 2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8922 -1.5641 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3198 -1.2881 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4781 0.8636 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7802 1.1113 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6758 0.0882 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4288 0.7537 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0064 -0.9870 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 1 25 83 1 0 25 84 1 0 29 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 M END