RDKit 3D 49 53 0 0 0 0 0 0 0 0999 V2000 -4.5526 3.7094 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1423 2.4946 0.4464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9501 1.8624 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2052 2.3990 -0.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5711 0.6348 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 0.0612 1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 -1.1257 2.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4404 -2.1429 1.2966 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6821 -2.8457 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -1.5574 0.1672 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4367 -1.6870 -1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -2.3077 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 -1.5384 -0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0163 -2.2578 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 -1.6999 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 -0.3507 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4377 0.5587 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.3964 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.5022 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0537 2.7564 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.9209 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8524 1.8121 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 1.6992 -0.4157 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 0.4097 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 -0.2171 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3305 0.5580 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 -0.1400 0.5387 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0338 4.3091 0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3826 3.5350 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7305 4.2733 -0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3216 0.5227 1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 -2.8583 1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9819 -3.5591 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -2.1387 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5265 -3.4388 -0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5086 -1.5755 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 -2.6978 -1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 -0.9687 -1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -3.0242 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 -3.0198 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -3.3487 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 -2.2913 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1759 -0.6225 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6598 1.3677 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7044 3.6274 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 3.9248 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.6798 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 1.5919 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 -0.1931 1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 6 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 5 1 0 27 10 1 0 25 13 1 0 24 16 1 0 22 17 1 0 1 28 1 0 1 29 1 0 1 30 1 0 6 31 1 0 8 32 1 1 9 33 1 0 9 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 14 41 1 0 15 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 26 47 1 0 26 48 1 0 27 49 1 1 M END