HMDB0256752 RDKit 3D Prednisone acetate 57 60 0 0 0 0 0 0 0 0999 V2000 6.2601 -0.8407 -2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 -0.3277 -1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 0.8961 -1.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 -1.2218 -0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 -0.8285 0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 -0.0949 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 0.0625 -1.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2103 0.4202 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 0.1101 2.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 1.9421 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 2.2188 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 1.0129 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 0.7553 0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 1.9518 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 1.6522 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8112 0.5101 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 0.6518 -1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 -0.4042 -2.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3732 -0.3071 -3.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9836 -1.6545 -2.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 -1.8080 -1.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1054 -0.7441 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7013 -1.2585 0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6658 -0.3971 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8687 -1.5569 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3963 -2.6073 0.4264 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -1.3547 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 -0.1129 1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2668 -0.3399 2.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5518 -1.4861 -3.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -0.0225 -3.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 -1.4359 -2.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -1.7778 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 -0.2433 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 0.8634 2.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 2.4244 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5099 2.3200 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4385 3.1645 0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 2.3544 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3868 1.0057 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5682 0.3552 1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 2.5431 -0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 2.6351 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 1.3011 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 2.5290 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 1.5871 -2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0693 -2.4825 -3.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 -2.7898 -1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6871 -2.3646 0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7598 -0.8859 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1589 -0.8436 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -0.1884 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0191 -1.3234 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0307 -2.2465 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 -1.1445 2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 -0.7337 3.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0965 0.5604 2.9732 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 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 28 8 1 0 28 12 1 0 24 13 1 0 22 16 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 5 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 17 46 1 0 20 47 1 0 21 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 24 52 1 0 27 53 1 0 27 54 1 0 29 55 1 0 29 56 1 0 29 57 1 0 M END