RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 9.0226 -0.9570 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4862 -0.0929 -0.6327 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2295 -0.0449 -0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 1.1420 -0.5073 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 -1.2131 0.1152 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1821 -1.4057 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 -0.7464 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.8591 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -1.6511 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 -1.7116 -1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1142 -0.9781 -0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 -0.1666 0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -0.1262 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 0.5978 1.5427 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 0.7493 1.1671 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7023 1.8417 0.2576 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 3.1365 0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 4.1432 1.0641 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 3.3926 0.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 2.7333 0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 -0.5718 0.6346 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5050 -0.7329 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3425 -1.2449 1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6898 -1.4136 1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2331 -1.0662 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5877 -1.2092 -0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -0.5571 -1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9344 -0.2066 -2.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0391 -0.3842 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -1.0089 -0.4663 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 1.8528 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 1.2532 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0238 -1.9311 0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9211 -2.0618 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -0.1007 1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 -2.2369 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 -2.3356 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3568 0.5020 1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2173 0.9484 2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 1.7509 -0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0489 5.1612 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1505 3.8781 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 -1.3183 1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 -1.5308 2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3569 -1.8143 1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1704 -1.5820 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 0.1665 -3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 0.0102 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 3 2 2 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 30 1 0 30 21 1 0 21 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 15 14 1 0 14 12 1 0 12 13 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 2 0 13 8 1 0 29 22 1 0 12 11 1 0 4 31 1 0 4 32 1 0 2 1 1 0 5 33 1 0 6 34 1 0 7 35 1 0 9 36 1 0 10 37 1 0 21 43 1 1 15 39 1 1 16 40 1 0 18 41 1 0 18 42 1 0 19 20 1 0 13 38 1 0 23 44 1 0 24 45 1 0 26 46 1 0 28 47 1 0 29 48 1 0 M END