B3NTH9 -OEChem-04012119552D 54 53 0 1 0 0 0 0 0999 V2000 10.8301 5.0490 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.8301 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8301 5.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8301 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8301 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9378 3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 3.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7225 2.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 3.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2101 3.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4378 4.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7475 4.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.1316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 2 1 1 0 0 0 2 38 1 0 0 0 0 3 17 1 0 0 0 0 3 49 1 0 0 0 0 4 20 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 6 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$