HMDB0009297 RDKit 3D PE(20:2(11Z,14Z)/20:2(11Z,14Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -1.2219 -0.1283 -9.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -0.0912 -7.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4056 0.5371 -7.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 -0.2479 -7.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0323 0.4007 -6.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2938 1.7563 -7.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 2.8128 -6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 2.9680 -4.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 1.9013 -4.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 1.7482 -3.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 2.5850 -3.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0779 3.1620 -2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0221 4.0076 -1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 4.5607 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 5.4129 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 4.7314 0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 3.5633 1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 2.9563 1.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1863 1.8135 2.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3696 0.7016 2.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7687 0.7532 1.1561 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 -0.4816 2.9894 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -1.4988 2.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 -2.7272 3.3267 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8207 -3.1648 3.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 -3.3944 2.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -3.8788 2.5511 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9636 -4.7007 3.8345 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0359 -2.5737 2.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 -4.8770 1.3006 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5727 -4.9587 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0147 -5.8429 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2348 -5.3043 -1.4168 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5813 -3.6738 2.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5296 -4.2442 3.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7846 -3.8408 4.4384 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3087 -5.2449 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -5.3588 1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 -4.0578 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -4.2304 -1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5404 -3.1685 -2.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9905 -1.8116 -1.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2817 -1.0059 -0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7947 -0.8231 -0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9238 0.0088 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3439 0.2274 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9017 1.4188 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 2.6697 0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1259 3.6309 2.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5518 3.5014 3.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2287 2.3910 3.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 1.9756 5.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 0.8236 5.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1604 0.4054 6.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8121 -0.0276 6.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 -1.0266 -9.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6834 0.7918 -9.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 -0.2324 -9.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 0.4171 -7.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6703 -1.1214 -7.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6665 0.4594 -6.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2648 1.5969 -7.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7624 -1.2913 -7.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0523 -0.3028 -8.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 0.1391 -5.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 -0.2117 -7.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5728 1.8794 -8.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 3.7689 -6.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2109 3.8395 -4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 3.4837 -4.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 1.1955 -3.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 0.8780 -2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 1.9884 -3.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 3.4179 -4.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3493 2.3484 -1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0047 3.7594 -2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9787 3.4644 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1704 4.8800 -2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 3.7375 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 5.1266 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 6.2914 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 5.8238 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 5.5011 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 4.4278 -0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 2.8610 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 3.9589 2.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 3.7809 2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 2.6519 0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 1.5257 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8499 2.1487 3.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -1.7997 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 -1.1392 2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -2.5036 4.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 -4.0279 4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3642 -2.3167 3.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6858 -1.7700 2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 -5.4110 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2547 -3.9657 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1894 -6.8718 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 -5.8537 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6524 -4.6105 -0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9948 -4.8328 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 -4.9407 2.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -6.2208 3.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -5.5390 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6725 -6.1545 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -3.3417 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 -3.7341 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -4.4761 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6893 -5.1991 -1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 -3.1443 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 -3.5485 -3.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 -1.8545 -2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 -1.2426 -2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -1.1988 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9611 0.0697 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 -1.7789 -0.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 -0.2266 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.6315 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 0.9255 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9949 -0.6829 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0243 1.4357 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8119 3.2094 0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2005 2.5706 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 4.6173 1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3585 4.4150 3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4333 1.4830 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1896 2.7132 4.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2539 2.8191 5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 1.7070 4.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -0.0403 5.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0027 1.0939 6.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 -0.4179 7.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0928 1.2639 7.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -1.0575 6.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -0.1223 5.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 0.6526 6.8752 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 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 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 1 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 M END