HMDB0015092 RDKit 3D Norgestimate 58 61 0 0 0 0 0 0 0 0999 V2000 -2.2473 2.5305 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 1.5964 -1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 0.4647 -0.2076 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0292 -0.1780 -0.5882 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3223 -0.7615 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6354 -1.4466 -2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 -0.7212 -2.7051 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1837 1.0382 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 1.2604 1.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8797 0.8073 0.7791 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4811 0.4442 1.2068 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1692 1.6541 1.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 2.2357 0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1704 1.2154 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3939 1.5875 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 0.5530 -0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 0.8545 -1.0377 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2268 -0.1448 -1.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8951 -0.8732 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 -0.9783 -0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -0.1658 0.2201 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1881 -0.0162 -0.0785 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5202 -1.2174 -0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 -0.8794 -1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6661 -0.3323 0.1161 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9485 -1.4208 1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9724 -2.3926 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 3.3604 -2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8344 -1.3419 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4512 -0.9090 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6228 -2.4966 -1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 0.2907 1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 1.9543 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 2.3747 2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6948 0.7578 2.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8017 1.6050 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 -0.3826 1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4429 2.4734 1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 1.4381 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8165 2.8566 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 2.9319 1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 2.5976 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9569 -0.4540 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5265 -1.5373 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 -1.1118 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 -0.5644 -1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1422 -2.0351 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -0.6372 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0777 0.8230 -0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1041 -1.5661 -1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -2.0342 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -1.8072 -1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 -0.1311 -1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 -2.0025 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2777 -1.0250 2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 -3.2939 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0234 -2.0611 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 -2.7865 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 3 2 1 6 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 26 27 1 0 25 3 1 0 25 10 1 0 22 11 1 0 21 14 1 0 1 28 1 0 6 29 1 0 6 30 1 0 6 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 6 11 37 1 1 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 15 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 21 48 1 1 22 49 1 6 23 50 1 0 23 51 1 0 24 52 1 0 24 53 1 0 26 54 1 0 26 55 1 0 27 56 1 0 27 57 1 0 27 58 1 0 M END