BEXR68 -OEChem-04012120172D 82 90 0 1 0 0 0 0 0999 V2000 9.1694 2.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9712 -1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 0.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1102 1.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -2.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 -3.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5714 -0.5758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8873 1.3036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6619 0.0161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 -1.0930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6472 0.4402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9189 -0.3544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9060 1.4061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6960 0.2749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3376 1.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5866 -0.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2445 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9294 -1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5444 -1.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3884 -0.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9022 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2281 2.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6174 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2877 1.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0846 -1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3603 -2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4435 3.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4976 2.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9207 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3690 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8622 -1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2085 -3.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2429 -3.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -1.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6691 3.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6895 3.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3350 0.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -2.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5938 -0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0421 1.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5597 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0080 0.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2668 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4853 -0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 2.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8249 -0.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9454 1.3308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3186 1.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7895 -0.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2279 -1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9872 -0.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 -2.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5144 -2.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9360 -1.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8611 -3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0325 3.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 2.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3219 -1.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0812 -1.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5196 -0.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 -2.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4146 -2.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1437 -1.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6927 -3.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 -4.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 -0.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -1.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7911 4.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 3.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1554 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 1.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7202 -1.3593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4464 1.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8657 -0.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -4.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -3.8543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 12 2 1 6 0 0 0 2 35 1 0 0 0 0 3 28 2 0 0 0 0 4 34 2 0 0 0 0 5 42 1 0 0 0 0 5 48 1 0 0 0 0 6 42 2 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 23 1 0 0 0 0 14 9 1 6 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 1 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 6 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 24 1 0 0 0 0 20 29 2 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 23 26 1 0 0 0 0 23 31 2 0 0 0 0 24 30 2 0 0 0 0 25 28 1 0 0 0 0 26 32 2 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 29 36 1 0 0 0 0 29 59 1 0 0 0 0 30 37 1 0 0 0 0 30 60 1 0 0 0 0 31 39 1 0 0 0 0 31 61 1 0 0 0 0 32 40 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 41 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 37 2 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 38 42 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 40 2 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 43 45 1 0 0 0 0 43 75 1 0 0 0 0 44 46 2 0 0 0 0 44 76 1 0 0 0 0 45 47 2 0 0 0 0 45 77 1 0 0 0 0 46 47 1 0 0 0 0 46 78 1 0 0 0 0 47 79 1 0 0 0 0 48 80 1 0 0 0 0 48 81 1 0 0 0 0 48 82 1 0 0 0 0 M END $$$$