B49TDI -OEChem-04022107382D 40 43 0 0 0 0 0 0 0999 V2000 7.8600 -2.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.9746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 3.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 3.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 3.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7249 -1.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 -0.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 -0.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 -2.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0498 -3.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6045 -1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -0.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7294 -3.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 -3.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 -1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -3.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -0.3687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 2.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 3.3706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 1.7160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 4.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 3.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 33 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 32 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 11 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 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 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$