HMDB0030625 RDKit 3D Castacrenin A 62 68 0 0 0 0 0 0 0 0999 V2000 0.5356 -0.5415 1.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 -0.6549 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -0.2098 1.6935 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 -0.7349 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2626 -0.9680 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6339 0.2363 -0.6093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 1.0393 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5701 1.4999 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4793 2.2242 -1.1832 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 2.4403 1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 3.4713 1.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1238 0.3110 1.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3427 -0.3117 1.9597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0318 -1.4635 -0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 -2.0856 -1.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4439 -2.2421 -2.5425 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -2.5618 -2.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 -3.1967 -3.8754 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 -2.4344 -2.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.9232 -2.8084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 -1.8095 -0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 -1.6332 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1446 -2.5827 0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 -3.7495 0.8802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -2.3376 1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9427 -3.2813 1.9874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0966 -1.1760 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 -0.9325 1.3524 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9647 0.1695 1.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1011 0.3779 1.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4689 1.1330 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1906 2.2753 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 3.1996 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 4.3728 -1.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3911 2.9876 -1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 3.9225 -2.3088 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 1.8525 -1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 1.5963 -1.7046 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8039 0.5046 -1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6865 0.3282 -1.9581 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3103 -0.4771 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -0.2397 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 0.9279 -0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 -1.3300 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -1.6267 2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1126 -1.6717 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 1.9504 0.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2465 0.6568 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0423 3.0995 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0169 2.8844 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2115 1.8529 2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4715 4.3202 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8634 0.9372 2.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5686 -0.9100 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5312 -2.6990 -3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 -3.5665 -4.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -3.3794 -3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 -4.4879 1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -4.1372 2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1741 2.4639 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 4.5504 -0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 4.7701 -2.5190 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 8 10 1 0 10 11 1 0 7 12 1 0 12 13 1 0 5 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 2 0 42 43 1 0 21 44 2 0 44 2 1 0 12 4 1 0 44 14 1 0 41 22 1 0 42 27 1 0 43 31 2 0 43 37 1 0 4 45 1 0 5 46 1 0 7 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 11 52 1 0 12 53 1 0 13 54 1 0 16 55 1 0 18 56 1 0 20 57 1 0 24 58 1 0 26 59 1 0 32 60 1 0 34 61 1 0 36 62 1 0 M END