B78NRQ -OEChem-04022105233D 43 45 0 1 0 0 0 0 0999 V2000 2.1573 0.8379 0.8769 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0456 0.0299 -0.8791 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 1.0434 2.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 1.9636 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3791 -0.9157 -0.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1538 -1.2435 -0.2907 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 -0.4101 0.4845 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 0.2733 -0.8494 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7967 0.9263 -1.1738 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8008 -1.0423 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 1.0162 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8355 -0.1220 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 0.1823 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 2.2585 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8698 -1.7540 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 2.2410 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8056 -2.4776 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4494 -1.1531 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 2.8640 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1988 -2.4713 1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6437 -0.5904 -0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0437 -1.1763 -1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1158 -0.2801 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9252 0.0863 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 1.0591 -2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9526 2.7702 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 -2.6882 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1649 2.7592 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1577 -3.3303 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7124 -2.5867 -0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -1.8314 0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 3.8393 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8732 -1.6377 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3238 -2.3719 2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7113 -3.4026 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -1.2670 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 0.3584 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -1.2731 -1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0823 -2.1599 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 -1.3573 -2.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 -0.1120 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1505 0.6869 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0432 -0.3219 -0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 5 23 1 0 0 0 0 5 43 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 21 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$