HMDB0003180 RDKit 3D Cortol 62 65 0 0 0 0 0 0 0 0999 V2000 -2.5760 0.5036 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 0.3594 0.5416 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9958 1.5963 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4834 1.5440 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0624 0.3521 -0.7770 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8539 0.6967 -1.8623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 -0.5268 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1412 -0.8211 0.1052 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3812 -2.0810 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2021 -1.7570 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2753 -0.9551 -0.1256 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9197 0.3880 0.1849 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0241 0.9993 1.2426 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1165 0.2452 2.4081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 1.0902 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -0.1373 0.2764 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3991 -1.1818 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 -0.6556 -0.7481 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7688 -1.7531 -1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -1.0961 -1.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.0892 -0.6281 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0707 1.2821 -1.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 0.0233 0.0107 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4655 0.0683 -1.0733 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 1.2277 0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 1.1027 1.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1396 1.4120 2.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 -0.4266 2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6961 0.6244 2.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 1.8120 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6887 2.4439 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8214 2.4460 -0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9325 1.7048 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6437 -0.2606 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7356 0.9640 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3349 -1.5002 -1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2651 -0.0632 -1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9526 -1.0694 0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 -2.4222 0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0444 -2.8270 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 -1.1905 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -2.6702 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2328 -1.4957 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 1.0135 -0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 2.0572 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 0.2214 2.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 1.3414 1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 1.9371 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.7183 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0441 -1.9434 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.7263 2.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8949 0.1664 -1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 -1.9486 -2.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 -2.6685 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 -1.8005 -1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -0.6714 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 1.1192 -2.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.8757 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5376 1.0157 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7637 2.1849 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 1.2676 1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5693 1.9435 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 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 13 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 8 2 1 0 18 11 1 0 12 2 1 0 21 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 1 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 1 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 1 12 44 1 6 13 45 1 1 14 46 1 0 15 47 1 0 15 48 1 0 17 49 1 0 17 50 1 0 17 51 1 0 18 52 1 6 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 22 57 1 0 23 58 1 1 24 59 1 0 25 60 1 0 25 61 1 0 26 62 1 0 M END