RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 0.8352 2.3445 1.5047 C 0 0 0 0 0 3 0 0 0 0 0 0 1.0773 1.5409 0.6876 N 0 0 0 0 0 4 0 0 0 0 0 0 1.3787 0.6022 -0.2974 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1866 -0.2497 -0.6296 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1018 0.3839 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9585 -0.5576 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1398 0.0474 0.2968 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 1.3456 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0061 2.3821 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6899 3.6518 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 3.8436 -0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 2.8401 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 1.5803 -0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2487 -1.8715 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4996 -2.6828 -1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 -2.5821 1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 -1.3865 0.3599 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2156 -2.3509 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 -1.6454 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 -0.2051 0.0987 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8966 -0.0100 1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 0.3727 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 1.6523 -0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 1.1631 -1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 -0.6916 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0392 -0.3667 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 2.1754 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4157 4.4687 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 4.8650 -1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 3.0320 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8984 -2.3549 -1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5694 -2.6024 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 -3.7649 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5364 -3.1962 1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7424 -1.8006 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7936 -3.2580 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -1.0593 1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 -3.1335 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -2.9039 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 -2.1688 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 -1.7515 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 0.3199 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 0.7930 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -0.9263 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3793 -0.2420 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 2.1014 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4223 2.2566 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 15 14 1 0 14 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 6 22 23 2 3 20 3 1 0 3 2 1 0 2 1 3 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 13 8 1 0 4 17 1 0 13 5 1 0 15 31 1 0 15 32 1 0 15 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 17 37 1 1 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 21 42 1 0 21 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 3 24 1 6 4 25 1 6 7 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 M CHG 2 1 -1 2 1 M END