HMDB0262121 RDKit 3D PE(PGD1/20:2(11Z,14Z)) 138138 0 0 0 0 0 0 0 0999 V2000 -15.4905 -1.9708 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9434 -1.0923 1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1212 0.0466 1.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8208 -0.3321 1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9890 0.9182 2.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1847 1.6178 1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0689 0.8353 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0959 -0.1144 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8687 -0.8756 -1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6712 -0.2995 -1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4250 1.0032 -0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8629 1.6829 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 1.4247 0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2996 0.0028 1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -0.2863 1.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9339 -0.1583 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 -0.4144 1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5533 -1.7479 1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 -2.8762 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -2.8524 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 -3.6216 0.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 -2.0618 -1.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1946 -2.2187 -1.7233 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6197 -0.9353 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6595 -0.7992 -1.1189 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 -1.7367 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -2.7239 0.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 -1.6462 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -0.3016 -1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6848 -0.1844 -1.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5156 -0.4534 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9303 -0.2354 -1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9827 -0.6561 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3383 -0.3318 -0.7564 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5923 -0.9662 -2.0493 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8267 -2.1398 -2.2795 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3372 0.1290 -3.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3318 1.3899 -2.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 2.4705 -2.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4698 1.1852 -0.8723 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9729 1.3381 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2986 1.9752 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7931 2.1527 0.8239 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8558 2.4815 2.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4660 0.8327 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0707 -0.2579 1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9900 -0.0912 2.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6956 -1.0130 3.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7981 -0.7762 4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9909 -1.6264 -3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0217 -0.4086 -3.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 1.1174 -3.2730 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1260 1.3826 -4.6907 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 2.1551 -3.2034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4132 1.6978 -2.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 2.9468 -1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5419 3.0840 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9459 2.3240 0.4239 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.6444 -2.5207 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3808 -1.1424 -1.0180 H 0 0 0 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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 35 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 40 34 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 1 35110 1 1 36111 1 0 37112 1 0 37113 1 0 40114 1 1 41115 1 0 42116 1 0 43117 1 6 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 49129 1 0 50130 1 0 50131 1 0 54132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 M END