HMDB0037533 RDKit 3D Rustoside 69 73 0 0 0 0 0 0 0 0999 V2000 -0.8447 2.4526 -0.5405 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 1.8168 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0236 0.5006 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 -0.0918 -1.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0169 -0.7081 -1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -2.0285 -1.3477 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.6126 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -4.1146 -1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 -4.6939 -0.4026 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2154 -2.0677 -2.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -3.0141 -3.2536 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6148 -0.8115 -2.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5544 -0.1388 -3.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1469 0.0458 -1.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 0.1347 -0.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 1.3944 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 1.5547 -1.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8653 0.6824 -0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 1.0506 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -0.0845 1.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9279 2.1297 1.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5245 3.3333 1.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 1.9219 0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8443 3.0915 0.8841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -0.0978 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4359 -1.4557 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2387 -2.1158 1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7164 -3.3869 0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4086 -4.0812 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9188 -5.3757 -0.4255 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6305 -3.4500 -1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 -2.1475 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 0.5900 1.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 1.8140 1.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1644 2.4946 2.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 3.8037 2.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5895 4.4758 3.9298 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8682 4.4674 2.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 3.7910 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 4.4176 0.6279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 2.4860 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 -0.6005 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 -2.4200 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -4.5075 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -4.4365 -2.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7802 -4.6666 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -1.8393 -1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 -2.5768 -4.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -1.0396 -3.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 0.7996 -3.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7889 0.9651 -2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 2.0683 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8811 0.8191 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 -0.3479 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 1.3620 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -0.3190 2.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 2.2075 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1158 3.5734 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 1.0980 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 3.7639 1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4669 -1.5594 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3317 -3.8987 1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8308 -5.5206 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3828 -3.9738 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 -1.7505 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9515 1.9314 3.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3395 4.0463 4.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 5.4848 2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8449 5.3650 0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 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 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 3 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 25 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 36 38 2 0 38 39 1 0 39 40 1 0 39 41 2 0 41 2 1 0 14 5 1 0 23 16 1 0 32 26 1 0 41 34 1 0 5 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 13 50 1 0 14 51 1 0 16 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 21 57 1 0 22 58 1 0 23 59 1 0 24 60 1 0 27 61 1 0 28 62 1 0 30 63 1 0 31 64 1 0 32 65 1 0 35 66 1 0 37 67 1 0 38 68 1 0 40 69 1 0 M END