HMDB0303754 RDKit 3D Physapruin A 73 77 0 0 0 0 0 0 0 0999 V2000 4.3214 0.3689 3.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4897 0.6075 1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 0.6928 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8686 0.5545 2.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 0.9169 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0698 0.9971 -0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 1.0225 -0.8812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5355 0.3236 -0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 0.7873 -1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 2.2286 -1.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3485 0.2811 -2.7046 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3053 0.0703 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9345 0.3673 -3.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3624 -1.4133 -1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.8731 -1.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 -0.6300 -1.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -0.4750 -3.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 -0.6702 -1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7502 -2.1061 -1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9008 -2.3304 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3984 -1.4800 0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5688 -1.8025 1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2225 -1.9530 2.7774 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5645 -0.7052 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2641 0.4579 0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9554 0.7565 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7029 1.6252 -0.6276 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 -0.1309 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 0.2847 2.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 0.1088 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 0.0414 0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 0.2075 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 0.4124 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4704 1.7394 -1.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 0.7399 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2501 0.3778 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 -0.6399 3.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8928 1.1527 3.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7154 -0.4414 2.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 1.3800 2.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 0.4537 1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -0.7442 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 2.9029 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5371 2.5874 -2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 2.4956 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 0.7910 -2.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7009 0.1774 -3.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7644 -1.7850 -2.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 -1.8338 -0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -2.2706 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 -2.6636 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 -0.1184 -3.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9826 -0.1858 -2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0303 -2.4622 -2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -2.8313 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4196 -3.3190 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0464 -2.7523 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9824 -1.6354 3.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5648 -0.7965 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0283 1.2488 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4394 1.3645 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9979 -0.3258 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7471 0.2943 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 1.2290 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4753 -0.9469 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5787 0.7845 1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 1.0088 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 -0.7087 0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6813 2.4791 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4118 1.6614 -2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 2.1084 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 0.1517 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 1.7892 0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 8 35 1 0 35 2 1 0 33 12 1 0 33 16 1 0 30 18 1 0 28 21 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 4 40 1 0 4 41 1 0 8 42 1 0 10 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 17 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 22 57 1 0 23 58 1 0 24 59 1 0 25 60 1 0 29 61 1 0 29 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 31 66 1 0 32 67 1 0 32 68 1 0 34 69 1 0 34 70 1 0 34 71 1 0 35 72 1 0 35 73 1 0 M END