D0H6AA -OEChem-04152110533D 52 56 0 1 0 0 0 0 0999 V2000 -2.7935 -2.6361 0.2925 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 -0.2923 1.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -1.9066 -0.7508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 2.2976 0.8943 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 -3.9695 0.4959 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0641 -2.6296 -0.4309 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7784 -1.7834 1.4803 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 1.6246 -1.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4529 -0.3394 0.4173 N 0 3 2 0 0 0 0 0 0 0 0 0 1.5782 -0.7289 0.4745 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4324 -1.2122 -0.7081 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6097 -0.2079 -0.8626 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1752 -1.3610 0.6485 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4038 -0.7681 1.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1331 0.6683 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7207 0.0047 1.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1689 1.2655 -1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 1.6392 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -2.1049 -0.6034 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6088 -1.3826 -1.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1675 0.8602 0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3268 -1.7716 -1.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 0.3341 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 2.8927 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 2.0901 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0429 3.1193 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 2.0209 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4044 2.2881 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5101 1.9887 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 -2.2044 -0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2735 -0.5308 -1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1809 -2.0780 1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6283 -1.8159 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8257 -0.3765 2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 -1.3419 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 1.0885 1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3752 -0.2680 2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 1.3851 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 1.9801 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -3.1773 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 -1.2264 -2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2184 -1.9278 -2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6633 1.4160 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3978 -0.0215 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 0.0436 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 3.6945 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4914 4.1020 -0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4548 3.3410 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5335 1.6582 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4837 0.9393 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4895 2.1890 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4086 2.6075 -1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 19 1 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 8 27 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 25 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$