HMDB0264546 RDKit 3D PA(19:2(10Z,13Z)/LTE4) 135134 0 0 0 0 0 0 0 0999 V2000 -3.4643 4.5041 -0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 3.3145 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4024 2.2453 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9693 1.0242 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3174 0.0124 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -1.1456 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1942 -2.4105 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 -2.8147 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 -3.6458 -2.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 -4.0875 -2.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6415 -3.8279 -1.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 -4.3253 -2.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0126 -4.0513 -1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 -4.5123 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 -4.2784 -1.3504 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3781 -2.9764 -2.0464 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7599 -1.3878 -2.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4073 -0.5157 -1.2358 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3688 -0.9724 -0.3609 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 0.8277 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6846 1.5019 -2.5254 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 1.2915 -1.4816 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0427 2.4484 -1.8349 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8242 3.3122 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2277 2.6089 0.4633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9844 3.3226 1.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 4.5797 1.5484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4509 2.8480 2.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 1.3561 3.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 1.1223 4.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8758 -0.2934 4.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2143 -1.1660 4.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5462 -0.7707 5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6359 -1.6930 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1076 -1.7105 3.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0678 -2.8216 3.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3101 -2.7218 2.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -1.5694 2.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7012 -0.2135 2.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8778 0.7085 1.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5537 0.5150 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6385 0.8115 -0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4489 0.6132 -1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5829 0.9061 -3.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3817 0.0176 -3.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 2.2504 -2.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 3.4918 -2.9718 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 3.3414 -3.9501 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3382 3.9635 -3.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4538 1.6866 -4.1758 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1564 4.0918 -5.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5101 -4.5137 0.1049 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0614 -5.9150 0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9015 -4.6092 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8341 -3.4844 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4147 -2.2524 1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -1.1493 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 -1.2830 0.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1469 0.0557 1.8095 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 5.2812 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 4.1847 -1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6105 4.9464 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8431 2.9744 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2241 3.6951 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 2.6867 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 1.9736 -1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3258 1.3614 1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.6227 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 0.5019 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 -0.1682 -1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 -0.9341 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7348 -3.1218 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 -1.9750 -1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9121 -3.4733 -0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5932 -3.9461 -2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5265 -4.7213 -3.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7248 -3.2476 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -4.9145 -3.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -3.4899 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -5.0960 -2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0359 -5.2636 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8899 -1.3927 -3.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5442 -0.7966 -2.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -0.2370 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -0.3931 0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 -1.9314 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 3.0870 -2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 3.6787 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 4.1868 -0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 3.1982 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 3.2733 3.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 0.8626 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 0.9557 2.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7224 1.6807 5.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 1.6759 4.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 -0.8113 4.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8947 -0.3756 6.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 -2.2027 4.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3384 -1.2135 3.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 0.2630 4.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 -0.7439 6.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 -2.7481 4.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 -1.4920 5.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3224 -0.7740 2.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 -2.0702 2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 -3.8772 3.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8392 -3.7457 2.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6794 -1.6911 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1148 -1.7061 3.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 0.1476 3.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4591 1.7064 2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4237 1.2652 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9883 -0.4534 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8232 0.0829 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 1.8436 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3603 1.2216 -1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7271 -0.4754 -1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2126 0.8915 -4.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1677 1.9585 -3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 -0.3817 -4.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 0.5507 -3.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4821 -0.8752 -2.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1272 1.5045 -2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 1.8776 -3.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1097 1.5636 -4.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 4.2009 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8069 -4.0058 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5025 -6.3929 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 -4.9364 1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4129 -5.4990 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8014 -3.8526 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1855 -3.1724 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -1.9638 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4876 -2.5523 2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4045 0.1680 2.4911 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 23 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 15 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 6 17 82 1 0 17 83 1 0 18 84 1 1 19 85 1 0 19 86 1 0 23 87 1 6 24 88 1 0 24 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 50125 1 0 51126 1 0 52127 1 1 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 59135 1 0 M END