B5V7FO -OEChem-04022108562D 57 60 0 1 0 0 0 0 0999 V2000 17.1386 2.3763 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 11.0764 -1.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 1.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0047 1.8763 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.1386 3.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -2.8663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2726 1.8763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8181 -2.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -3.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 -1.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 -1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5463 -1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4104 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3165 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4104 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2104 -0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2104 0.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3165 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9425 0.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9425 -0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5406 1.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 1.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 0.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 2.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5406 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 2.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3115 -2.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 -3.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -3.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 -1.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 -1.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -3.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -3.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -2.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -2.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -3.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 -1.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 -1.8754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3236 -1.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 0.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3236 1.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4794 -0.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2716 2.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 -0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 2.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0775 0.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8051 2.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0080 2.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2726 1.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 24 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 32 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 16 3 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 22 2 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 50 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M CHG 1 4 -1 M END $$$$