HMDB0256592 RDKit 3D Pirenperone 53 56 0 0 0 0 0 0 0 0999 V2000 2.2325 -0.6865 1.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -0.5536 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 -0.3316 1.3724 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -0.2370 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9185 -0.0133 0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9938 0.0934 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7723 -0.0291 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -0.2501 -1.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 -0.3518 -0.8509 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -0.5680 -1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 -0.6809 -2.5574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1491 -0.6685 -0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -0.8917 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0121 0.3896 -0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3474 0.1917 -1.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9586 1.4954 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 1.7201 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0155 0.8384 -0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9135 1.0842 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 1.9125 1.5231 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2018 0.4572 0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9513 0.7901 1.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 0.2168 2.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7342 -0.7027 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9431 -1.2651 1.4445 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9900 -1.0265 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7472 -0.4537 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5454 -0.5553 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 -0.7445 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 -0.9508 2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6481 0.2121 2.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 -1.6098 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0567 0.0772 1.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 0.2665 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6086 0.0506 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2802 -0.3497 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -1.6020 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7899 -1.3750 -1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 1.1165 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 0.9136 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 2.2999 -1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6196 1.6233 -2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 1.3048 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 2.7744 -0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 1.2014 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5929 1.5025 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7966 0.4464 2.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3614 -1.7432 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2147 -0.7408 -0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9695 -0.9597 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9822 -1.1797 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6467 -0.6963 0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8536 -1.7617 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 18 28 1 0 28 29 1 0 12 2 2 0 29 15 1 0 9 4 1 0 27 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 22 46 1 0 23 47 1 0 26 48 1 0 27 49 1 0 28 50 1 0 28 51 1 0 29 52 1 0 29 53 1 0 M END