B3T6JH -OEChem-04012116022D 38 40 0 0 0 0 0 0 0999 V2000 5.3457 1.7014 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -4.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8329 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1810 3.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 -0.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 0.8924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.0239 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1646 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 3.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -3.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 -3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 5.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2664 2.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 3.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 4.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -1.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -3.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -3.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 5.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 5.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 -1.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9895 -5.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -5.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6095 -4.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 24 2 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 20 1 0 0 0 0 16 22 2 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$