RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 9.3391 1.2525 -0.5356 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 0.9611 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 1.9115 -0.3818 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6856 1.5786 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 2.4998 -0.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 0.2674 -0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2653 -0.6896 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 -0.3431 -0.3664 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 -2.0476 -0.1967 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -2.4232 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -1.4745 0.3277 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1215 -1.6433 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7192 -0.2370 -0.0724 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 0.1849 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 1.5220 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 1.9872 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 1.0754 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 1.5503 0.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8048 2.8080 0.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7228 0.6902 0.7338 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0667 1.2488 0.9393 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8579 1.0063 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9977 -0.4103 -0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7651 -1.2879 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5141 -0.8881 1.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6496 -2.6787 0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6379 0.7963 2.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1602 -0.2379 2.7665 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7054 1.4334 2.8427 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.9494 -0.2573 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 -0.6923 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8624 0.5658 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.1192 -0.1029 N 0 0 0 0 0 4 0 0 0 0 0 0 10.0032 0.5113 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7328 2.1920 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2908 -1.0805 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 -2.7634 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 -2.3101 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3362 -3.4801 -0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 -1.5110 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 -2.1404 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 -2.1084 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8287 2.2845 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 3.0431 0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6192 -0.3324 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9334 2.3880 1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8572 1.5378 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2743 1.5236 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9742 -0.8945 -0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4243 -0.4993 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 -3.1136 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 -0.9786 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 -1.7661 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 1.5886 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 12 13 1 0 13 32 1 0 32 33 2 0 33 6 1 0 6 7 2 0 7 9 1 0 9 10 1 0 7 8 1 0 8 2 1 0 2 1 1 0 2 3 2 0 3 4 1 0 4 5 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 30 1 0 30 31 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 26 1 0 24 25 2 0 21 27 1 0 27 29 1 0 27 28 2 0 33 11 1 0 4 6 1 0 31 14 1 0 10 11 1 0 11 40 1 1 12 41 1 0 12 42 1 0 32 54 1 0 9 37 1 0 10 38 1 0 10 39 1 0 8 36 1 0 1 34 1 0 1 35 1 0 15 43 1 0 16 44 1 0 30 52 1 0 31 53 1 0 20 45 1 0 21 46 1 1 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 26 51 1 0 M CHG 2 29 -1 33 1 M END