BB1E5A -OEChem-04022114263D 46 49 0 1 0 0 0 0 0999 V2000 -0.7246 -1.1844 1.4648 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1973 -1.8954 -0.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6078 -0.7155 2.5789 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 -1.3704 -0.1297 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6634 -0.7135 -1.0829 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 0.6017 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 -0.0778 -1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6031 -0.2179 0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 -0.5034 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3837 -0.7258 0.8102 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4270 0.6804 -1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 2.0409 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 -0.7180 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -0.5531 1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 -1.0760 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 -1.9241 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 -1.5251 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2579 -2.7113 -1.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 0.7492 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 1.7002 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 1.1471 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 3.0493 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8543 2.4959 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 3.4470 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3955 -0.9725 -2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6288 0.5983 -2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 -1.1746 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3517 0.3302 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -0.7570 1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1924 1.2541 -2.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7509 -0.3181 -2.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2771 1.1650 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 2.0672 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5739 2.6420 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 2.5389 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -1.0973 -2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2621 -2.5825 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 -2.4448 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 -0.9627 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -3.6114 -0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7193 -3.0329 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8391 1.4175 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 0.4487 -0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 3.7903 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6987 2.8062 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 4.4973 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 2 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$