HMDB0011298 RDKit 3D PC(P-18:1(11Z)/P-16:0) 132131 0 0 0 0 0 0 0 0999 V2000 4.2122 -2.1500 -8.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 -2.4750 -7.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5853 -3.3604 -6.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8602 -2.5761 -5.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6595 -3.1965 -3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8696 -4.4853 -3.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 -4.3552 -4.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 -4.5918 -3.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3513 -5.0159 -2.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -4.0029 -1.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8047 -3.8607 -2.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 -2.8539 -1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0009 -1.4650 -1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9618 -1.0189 -2.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 0.3170 -2.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 1.4851 -2.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 1.6679 -2.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4273 1.8560 -1.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 1.9025 -0.6012 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8816 1.0899 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4888 1.4481 1.7197 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0462 0.5467 2.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 -0.7537 2.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2509 -1.8108 3.7472 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5720 -3.1621 3.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 -1.1228 4.4380 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.0104 -1.9609 4.8894 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8646 -2.5150 4.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 -2.5824 5.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -3.1292 4.9890 N 0 0 0 0 0 4 0 0 0 0 0 0 1.4618 -2.5791 5.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -4.5726 5.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 -2.7916 3.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8542 2.8108 1.9553 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7413 3.4163 3.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 4.6038 3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6888 5.5182 2.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 6.4284 2.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 5.9851 3.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 4.8384 4.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 3.4668 3.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 3.3450 2.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 2.0533 1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3564 1.8343 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 2.8306 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 3.1564 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 4.1899 -1.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 4.6708 -3.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 5.3552 -2.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6743 6.5914 -1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.2371 -9.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.1428 -7.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -2.9494 -7.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1714 -2.9764 -8.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1406 -1.5123 -7.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1157 -4.2889 -6.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6547 -3.5198 -6.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 -2.1918 -5.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 -1.6231 -5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6035 -3.4010 -3.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 -2.4737 -3.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8382 -4.7962 -2.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 -5.3162 -4.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -4.0399 -5.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4787 -4.4653 -4.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2614 -5.2783 -1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7357 -5.9753 -2.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 -3.0508 -1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6379 -4.3028 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -3.6935 -3.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -4.8489 -1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -3.1540 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 -2.7909 -1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -0.7430 -0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 -1.4084 -0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -1.7624 -3.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9387 -1.1741 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 0.2829 -2.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1855 0.5059 -4.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 1.4020 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 2.3974 -2.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 1.6432 -3.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 1.9858 -2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9844 1.2624 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6734 0.0078 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 1.4565 1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1717 0.6319 2.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 0.8986 3.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5342 -2.0256 3.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1617 -3.5696 4.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2316 -3.2180 6.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 -1.5962 5.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -3.0312 6.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3059 -1.4708 6.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 -2.6759 5.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -4.8670 6.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5955 -4.8123 5.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0548 -5.1457 4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 -1.8004 3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4455 -3.5514 2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 -2.7842 3.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 2.8855 4.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 5.0049 4.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5411 6.1103 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 4.9365 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 7.2321 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1319 7.1122 3.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 6.8633 3.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3264 5.9332 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 4.8749 4.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 4.8385 4.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 3.2473 2.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0473 2.7275 4.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9324 3.5108 3.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 4.1371 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 1.2361 2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2453 1.9047 1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 0.8382 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 1.6786 1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1998 3.7698 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 2.3961 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7845 3.4420 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 2.2262 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 4.9793 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 3.6681 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 5.4378 -3.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 3.8671 -3.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 4.7443 -2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 5.7706 -3.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4885 6.3992 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 7.4632 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7496 6.8853 -2.0528 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 2 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 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 34 1 0 34 35 1 0 35 36 2 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 20 84 1 0 20 85 1 0 21 86 1 6 22 87 1 0 22 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 31 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 33101 1 0 35102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 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 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 50132 1 0 M CHG 2 26 -1 30 1 M END