HMDB0039565 RDKit 3D BL II 62 65 0 0 0 0 0 0 0 0999 V2000 8.0065 -1.2731 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 -1.1437 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 -1.8830 -0.5045 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -0.2206 1.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 -0.0817 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 -0.8571 1.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 -0.6826 1.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -1.2561 1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 -0.7690 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 -1.0322 1.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 -2.0123 2.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 -3.3143 1.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2718 -4.3884 2.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7073 -3.6336 0.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 -0.3395 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -0.6483 0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4392 -0.1209 2.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7665 -0.3827 2.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4838 -1.2031 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8179 -1.4698 1.7465 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8452 -1.7386 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5125 -1.4704 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0327 0.6366 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9334 1.3747 -0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4777 1.0109 -2.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4354 1.9432 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1498 -0.0910 -2.5989 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6988 0.9081 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 1.8673 -1.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 3.2187 -0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2036 4.1319 -2.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 3.5695 0.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 0.2152 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 0.2520 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5515 1.0268 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9268 0.8570 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 1.6458 -0.7977 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 1.2342 -2.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 2.0600 -2.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 0.1535 -2.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2793 -2.3316 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5841 -0.9612 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 -0.6523 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 -1.5901 2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 -5.2666 2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 -4.8107 3.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 -4.0608 3.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8481 0.5258 2.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2698 0.0372 3.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5405 -0.8566 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4146 -2.3865 -0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 -1.9027 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 2.3842 -1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8546 2.7764 -3.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0914 1.4337 -3.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 5.1643 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6174 4.1313 -2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1075 3.7589 -2.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 1.7612 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8434 2.6367 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7864 1.3778 -3.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 2.7379 -3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 10 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 15 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 23 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 2 0 28 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 2 0 36 5 1 0 34 7 2 0 33 9 1 0 22 16 1 0 1 41 1 0 1 42 1 0 1 43 1 0 6 44 1 0 13 45 1 0 13 46 1 0 13 47 1 0 17 48 1 0 18 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 26 53 1 0 26 54 1 0 26 55 1 0 31 56 1 0 31 57 1 0 31 58 1 0 35 59 1 0 39 60 1 0 39 61 1 0 39 62 1 0 M END