B3KHJ2 -OEChem-04012112123D 34 35 0 1 0 0 0 0 0999 V2000 1.1123 -1.8189 0.8441 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 -0.1301 -1.3136 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3763 -1.3173 2.1812 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 -3.1886 0.5039 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7131 2.3881 0.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 -0.6484 -0.4846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.6421 -1.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4657 2.9321 1.2147 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1981 0.1115 0.3036 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2269 0.5590 -0.0222 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 -0.7399 -0.3892 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1609 -0.1145 -0.2061 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4021 1.2282 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -1.6185 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 0.8287 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 -0.1523 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 0.0703 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 2.2463 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 -1.3805 -1.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5314 -0.5437 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 -1.3536 -1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -1.0386 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -0.3913 0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 -2.0781 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 -2.1688 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7513 1.1297 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8082 -0.2819 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0071 -2.1886 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3328 -1.5703 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3968 -1.3533 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 3.5847 -1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -2.4061 -1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -0.9785 -2.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2025 -1.2635 -1.5907 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 11 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 5 13 2 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 8 18 2 0 0 0 0 9 20 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$