BXVU43 -OEChem-04022112323D 62 65 0 1 0 0 0 0 0999 V2000 -5.2906 -1.3757 -0.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 0.0116 1.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 3.0144 -0.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1677 2.6407 2.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6610 -1.2022 -0.0654 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2698 -0.3521 -0.4944 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 1.4998 -1.4165 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 -0.6223 -2.2648 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4033 -0.5065 -0.3475 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1688 -0.4160 -1.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 -1.1054 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3154 -1.3910 -1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3534 -2.5257 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5490 -1.5876 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0699 -1.8400 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 -0.4408 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1165 0.4238 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7424 0.1719 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -2.6029 0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 -0.5950 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0562 -0.8543 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 -1.9814 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 0.1344 -1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1565 0.7900 0.4756 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5253 0.2128 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 -0.8336 -1.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7467 -0.3416 0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8349 -0.3000 -1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4812 0.1918 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2103 2.2386 0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 4.4153 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3647 5.1292 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0975 0.5037 -0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5626 -0.6678 -2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5672 0.5979 -1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0733 -2.0971 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5009 -0.4674 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1594 -1.1730 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9945 -2.4237 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1531 -0.3126 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -3.4045 0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -2.8699 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 -1.3492 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4484 -2.0895 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7508 1.0712 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 1.0525 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 1.2556 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 -3.6864 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9143 -2.5845 1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4334 0.7733 -0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 -1.2315 -2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4784 -0.3603 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 -0.2912 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 0.5831 2.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8353 1.9754 -2.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8131 2.0777 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3473 -0.0244 -2.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 4.5772 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 4.8008 0.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7373 4.9616 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 4.7410 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 6.2051 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 30 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 40 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 23 1 0 0 0 0 7 23 1 0 0 0 0 7 55 1 0 0 0 0 7 56 1 0 0 0 0 8 23 2 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 10 12 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 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 2 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 22 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 49 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 24 50 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END $$$$