B5IO4J -OEChem-04042102493D 34 36 0 0 0 0 0 0 0999 V2000 -5.4895 1.3556 0.6877 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9772 1.6655 -0.9515 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4112 0.3651 0.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3513 -2.1182 -0.8304 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 -0.0368 -0.3902 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 1.3987 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6533 -0.4969 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 1.7617 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5651 -0.0609 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 -0.9178 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 -0.3833 -0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5161 -0.8150 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3224 0.6201 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 -1.2023 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1413 -0.1225 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9938 0.2968 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -1.5787 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6768 -1.2294 1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 1.4981 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 1.9290 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 1.6935 0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6919 -1.5832 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 -0.0360 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8717 1.2905 1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1698 2.8453 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 -0.3151 0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 -0.5597 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6777 0.6429 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 -2.2227 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 0.9011 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9471 -2.4467 1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3253 -1.8117 1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 2.4048 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 1.3697 -1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 14 2 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$