RDKit 3D 40 40 0 0 0 0 0 0 0 0999 V2000 4.9917 2.0434 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 1.1354 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 0.8962 1.8682 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 0.5782 -0.3736 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 -0.2936 -0.7582 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7540 -1.7376 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -2.1501 -1.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 0.1893 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1812 1.2820 0.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 -0.5569 -0.3697 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 -0.0665 0.1627 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2096 0.2278 -0.9507 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1603 -0.6971 -1.9913 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5956 0.4473 -0.4851 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8101 1.9419 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0104 -0.2234 0.6106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2543 -1.2694 1.0385 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4433 -2.4440 0.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8049 -0.9603 1.2403 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6242 -0.4029 2.5046 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 1.7944 0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 3.0794 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4452 1.9005 2.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 0.8416 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3489 -0.1260 -1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9283 -2.4033 -0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 -1.9571 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6954 -1.7000 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -1.4601 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 0.9176 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 1.1922 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8143 -1.5696 -1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2966 0.2143 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8926 2.1503 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2924 2.4701 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3346 2.1888 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 -1.5547 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2156 -2.3011 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 -1.9489 1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3072 0.3321 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 15 14 1 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 11 1 0 11 10 1 0 10 8 1 0 8 9 2 0 8 5 1 0 5 6 1 0 6 7 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 11 12 1 0 12 13 1 0 12 14 1 0 15 34 1 0 15 35 1 0 15 36 1 0 14 33 1 6 17 37 1 1 18 38 1 0 19 39 1 1 20 40 1 0 11 30 1 1 10 29 1 0 5 25 1 6 6 26 1 0 6 27 1 0 7 28 1 0 4 24 1 0 1 21 1 0 1 22 1 0 1 23 1 0 12 31 1 6 13 32 1 0 M END