BTJ71I -OEChem-04022106462D 55 58 0 0 0 0 0 0 0999 V2000 10.5756 -0.6280 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 -3.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 -2.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 3.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -2.6654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -2.1554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 -2.6279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -3.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -3.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -2.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0454 -2.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9095 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 -2.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7095 -2.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9095 -1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7095 -1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 -1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 -2.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1736 0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 1.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1736 1.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 2.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1736 3.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -1.7241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -1.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 -4.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1007 -3.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -2.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -3.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -4.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 -4.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8422 -1.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -1.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -3.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7138 -3.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1751 -1.5354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 -3.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3738 -0.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 0.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 -3.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8446 -0.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9047 0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7106 0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9047 2.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7106 2.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4836 3.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7106 4.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8636 4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 22 2 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 43 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 7 47 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$