DR7799 -OEChem-08132116303D 36 38 0 1 0 0 0 0 0999 V2000 -4.3708 -1.3527 0.5850 S 0 0 1 0 0 0 0 0 0 0 0 0 2.6313 -0.5920 -0.9547 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 2.1708 1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1654 1.9809 -0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -2.7701 -0.4726 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6575 -0.5809 0.3896 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 -0.2490 -0.0923 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -1.8265 0.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 1.6378 -0.4318 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3743 1.0023 -0.0794 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 3.1896 -0.6696 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0457 -2.3973 -0.6734 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4518 0.8799 0.8919 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7441 0.3714 -0.3548 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9012 0.8523 0.4483 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9565 -0.4119 -0.4037 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3151 -1.6540 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7771 0.3564 -0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -1.5598 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 -0.6378 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 -0.2766 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3746 1.8672 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2999 0.2025 1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5713 1.1677 -1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 0.8765 1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 -0.3102 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.8590 1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 -1.5574 0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 2.7743 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0864 1.9075 -0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 -2.2727 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 -2.8428 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0815 3.8830 -0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 3.4246 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8126 -2.9848 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 -3.0071 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 29 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 19 2 0 0 0 0 8 20 1 0 0 0 0 9 18 1 0 0 0 0 9 22 2 0 0 0 0 10 21 2 0 0 0 0 10 22 1 0 0 0 0 11 22 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$