RDKit 3D 45 48 0 0 0 0 0 0 0 0999 V2000 5.5441 2.2552 2.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3687 1.4559 2.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 0.1016 2.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1666 -0.6412 2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 -0.0717 1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 1.2885 0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 2.0409 1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 -0.8611 0.7767 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1595 -0.4317 -0.2588 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7083 -1.6748 -0.3445 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4060 -2.6175 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3946 -2.2041 0.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 -3.9754 -0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 -4.0733 -2.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 -5.1215 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 -1.2215 -1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 -1.8876 -2.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 0.0893 -0.9971 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 0.5892 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 1.6859 0.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 0.8676 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 0.7554 -2.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 1.5645 -3.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0296 2.4985 -2.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7387 2.6067 -1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 1.7872 -0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 1.7862 0.7473 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5381 0.6844 1.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 2.8716 1.3281 O 0 0 0 0 0 1 0 0 0 0 0 0 6.3385 2.2375 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 3.2948 2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 1.8519 3.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0048 -0.3901 3.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 -1.6913 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 1.8111 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 3.0943 1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -0.2348 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -1.8500 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 -6.0576 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 -5.0083 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -5.1646 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8406 0.0635 -3.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5884 1.4655 -4.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 3.1244 -3.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 3.3064 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 13 15 1 0 10 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 7 2 1 0 12 8 1 0 19 9 1 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 4 34 1 0 6 35 1 0 7 36 1 0 9 37 1 6 10 38 1 1 15 39 1 0 15 40 1 0 15 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 25 45 1 0 M CHG 2 27 1 29 -1 M END