RDKit 3D 49 50 0 0 0 0 0 0 0 0999 V2000 4.6033 -1.5659 -0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9496 -0.6236 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 -0.1747 1.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6531 -0.1819 -0.0947 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 0.7174 0.7989 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6843 1.9909 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 2.5348 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 3.9726 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 2.0178 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 0.5782 -1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7732 -0.1578 -0.1818 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1054 -0.2943 -0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6432 1.0803 -1.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1717 -0.9435 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 -1.3990 0.4723 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3292 -2.3909 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -2.0065 0.3614 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0875 -1.6124 -0.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 -1.4297 1.2017 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9281 -2.3320 1.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 0.0009 1.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8922 -2.1637 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2522 -2.2422 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2488 -1.0019 -1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 0.9179 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 2.6819 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 4.3765 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0689 4.5473 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4743 3.9496 -2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3391 2.6722 -1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2367 2.0969 0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1809 0.2294 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 0.6117 -2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 0.5556 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9836 -0.9052 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 1.8130 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2329 1.3805 -2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 1.0004 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4948 -1.9257 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -0.3391 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9241 -1.0005 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 -1.3862 1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 -3.2894 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 -3.1507 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.7474 2.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 -3.0885 2.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 -2.8720 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 -0.0303 2.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 0.5287 1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 12 14 1 0 12 11 1 0 11 10 1 0 10 9 1 0 9 7 1 0 7 8 1 0 7 6 2 0 6 5 1 0 5 21 1 0 21 19 1 0 19 20 1 1 19 18 1 0 18 17 1 0 17 15 1 0 15 16 1 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 15 11 1 0 17 19 1 0 13 36 1 0 13 37 1 0 13 38 1 0 12 35 1 0 14 39 1 0 14 40 1 0 14 41 1 0 11 34 1 1 10 32 1 0 10 33 1 0 9 30 1 0 9 31 1 0 8 27 1 0 8 28 1 0 8 29 1 0 6 26 1 0 5 25 1 1 21 48 1 0 21 49 1 0 20 45 1 0 20 46 1 0 20 47 1 0 17 44 1 1 15 42 1 1 16 43 1 0 1 22 1 0 1 23 1 0 1 24 1 0 M END