RDKit 3D 45 48 0 0 0 0 0 0 0 0999 V2000 6.2040 -2.2734 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9591 -1.4433 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 -2.0460 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -1.2709 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 0.1252 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 0.7115 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 -0.0547 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 0.9399 -0.2114 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 0.4050 -0.0292 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6978 1.6923 -0.1186 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2277 2.4916 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4754 2.1267 0.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 3.7029 1.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 4.3653 0.9509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5049 4.0213 2.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 1.1364 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9451 1.6838 0.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 -0.0658 -0.5837 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 -0.3926 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 -1.1946 -1.8198 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 -0.7920 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 -1.3056 -2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 -1.9427 -2.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5642 -2.0949 -1.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4664 -1.6376 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 -1.0026 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1635 -0.7738 1.3861 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.0638 -1.0264 1.9062 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1755 -0.4076 1.9992 O 0 0 0 0 0 1 0 0 0 0 0 0 6.0976 -3.2012 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 -1.7344 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 -2.5239 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6281 -3.1277 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -1.8034 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 1.7938 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 0.4480 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 -0.0773 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7048 2.1329 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 4.3372 2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 4.8327 3.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 3.1440 3.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5122 -1.1847 -2.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5522 -2.3134 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4708 -2.5909 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2956 -1.8089 0.1990 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 1 10 38 1 6 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