HMDB0037587 RDKit 3D Gancaonin U 56 58 0 0 0 0 0 0 0 0999 V2000 5.2845 -2.2627 1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 -1.8326 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3339 -1.0544 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2818 -2.1683 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 -1.8265 -0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1958 -1.1168 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 -1.7737 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1722 -3.1510 0.2224 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0044 -1.1302 0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1254 -1.9024 1.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -2.5674 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2327 -2.3807 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 -1.4534 0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9876 -3.1007 -1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 0.2362 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 0.9463 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 0.2696 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 0.9164 -1.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 2.4174 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9947 3.1134 -0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8598 4.4984 -1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8328 5.1875 -1.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1943 5.1761 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 6.5601 -0.5514 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1401 4.4809 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0371 3.1067 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 2.3692 1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2632 1.0112 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5836 -2.7635 2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6766 -1.2946 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1496 -2.8734 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3238 -1.5794 -0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 -0.9123 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6301 -0.0568 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 -2.7648 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 -1.2832 -1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -2.7943 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9033 -3.7639 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7133 -1.3917 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 -2.7327 1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 -3.2581 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -1.5026 1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0905 -1.7638 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9507 -0.4096 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0996 -2.3677 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3774 -3.9530 -1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9764 -3.4222 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0684 0.6117 -1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 2.7046 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8673 6.1538 -1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3326 7.0776 -1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9904 4.9549 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5346 2.2466 2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 2.9631 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 1.1618 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 0.4447 1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 9 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 17 6 1 0 26 19 1 0 28 15 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 8 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 14 47 1 0 18 48 1 0 20 49 1 0 22 50 1 0 24 51 1 0 25 52 1 0 27 53 1 0 27 54 1 0 28 55 1 0 28 56 1 0 M END