HMDB0008881 RDKit 3D PE(14:1(9Z)/24:0) 137136 0 0 0 0 0 0 0 0999 V2000 15.7014 5.3067 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1211 3.9124 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6844 4.0394 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0451 2.6472 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6682 2.8082 1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6295 2.4210 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 1.7877 -0.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1407 0.3756 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2345 -0.2768 -2.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7187 -1.6682 -2.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3009 -1.8767 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 -1.2357 -2.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 -1.5990 -2.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7069 -1.0584 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 -0.1882 -0.2952 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6573 -1.5071 0.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 -1.0391 1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 -1.8394 1.8581 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6794 -3.2713 2.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -3.1789 2.9309 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -4.7394 3.3081 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2610 -5.4688 4.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7435 -4.6929 4.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8258 -5.5390 1.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 -6.4591 2.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2038 -7.1461 0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2702 -8.1098 1.0656 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 -1.8214 1.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8309 -1.3765 1.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 -0.9604 2.7363 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3257 -1.4285 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5773 -0.9348 1.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.4870 1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 1.4510 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4789 1.2216 -0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 1.4383 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8731 1.1722 -0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7394 2.0692 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9002 3.5258 -1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2563 3.8196 -1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3728 3.4617 -2.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6844 3.8342 -1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0258 3.1765 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1423 1.6815 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2332 1.2492 -1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3362 -0.2599 -1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6558 -0.8564 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9675 -0.3470 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1247 -0.6879 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3983 -0.1536 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7085 -0.7191 1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0091 -0.1466 2.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1437 -0.4882 1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9188 6.0685 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4681 5.3990 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1887 5.5783 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0674 3.4967 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7327 3.2924 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1397 4.6367 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6185 4.5778 1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2022 2.1873 -0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6888 2.1165 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 3.2865 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6426 2.5962 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 2.3472 -1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6695 1.8376 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1094 0.3831 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7576 -0.2054 -0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3185 -0.3235 -2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7841 0.3652 -2.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 -2.1717 -3.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3348 -2.2291 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1139 -2.9951 -1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1192 -1.6961 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -1.6786 -3.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3248 -0.1302 -2.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1127 -1.2160 -2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7547 -2.7092 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 0.0381 1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3008 -1.2294 1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9567 -1.4201 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -3.8221 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 -3.7531 2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2990 -3.8923 4.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5811 -7.2192 2.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7501 -5.8902 2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2975 -7.6761 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4634 -6.4129 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8864 -8.9407 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -7.6652 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -0.9321 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 -2.5068 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 -1.5492 2.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4409 -1.2057 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5634 0.7266 2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 0.6736 2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 1.3774 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5386 2.4680 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 0.1882 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 1.9266 -1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0974 0.7181 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 2.4436 0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8781 1.2172 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 0.1268 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7902 1.8758 -2.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 1.7729 -2.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1322 3.8950 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7888 4.0859 -2.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4044 3.2750 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2784 4.9169 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4182 2.3788 -2.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2901 3.9841 -3.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5335 3.7093 -2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6254 4.9431 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2678 3.4491 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9953 3.6289 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1782 1.2757 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2946 1.2799 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9301 1.5953 -2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2014 1.7337 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3494 -0.6343 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0657 -0.5388 -2.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7606 -1.9525 -0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8174 -0.6881 0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9466 0.7029 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1351 -0.9419 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9633 -0.4008 -1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2391 -1.8131 -0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3472 0.9652 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2597 -0.3672 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8225 -1.8211 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9280 -0.4612 2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9711 0.9347 2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1825 -0.6271 3.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9983 -1.4859 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1291 -0.3564 1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0597 0.2715 0.2623 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 2 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 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 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 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 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 17 79 1 0 17 80 1 0 18 81 1 1 19 82 1 0 19 83 1 0 23 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 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 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 53137 1 0 M END