B4I5TY -OEChem-04022103272D 51 54 0 0 0 0 0 0 0999 V2000 10.5756 0.1220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0397 1.1220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 -2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 -1.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 -1.9154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -1.4054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 -1.8780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 -1.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0454 -1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9095 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 -1.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7095 -1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9095 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7095 -0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8156 0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 -0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 -1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 0.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 1.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1736 1.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 1.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1736 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -0.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -1.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 -3.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1007 -2.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -2.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -3.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 -3.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8422 -0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -0.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -2.3853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7138 -2.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1751 -0.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 -2.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3738 -0.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 0.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 -2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8446 -0.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9047 1.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7106 2.9320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9047 2.9320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 3.7420 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 25 1 0 0 0 0 3 14 2 0 0 0 0 4 22 2 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 42 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 7 46 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 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 43 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 45 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 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$