B3JRE8 -OEChem-04012113472D 43 45 0 0 0 0 0 0 0999 V2000 3.2733 -2.0194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -5.5020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 1.5684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.4316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -2.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -4.6930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -1.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 4.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 4.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 5.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 5.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 6.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -3.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 0.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5589 0.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 0.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 -0.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5589 0.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 2.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 2.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5589 3.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3513 4.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 4.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 -3.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3513 5.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 5.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 6.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -4.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 -6.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 23 2 0 0 0 0 3 7 1 0 0 0 0 3 43 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 6 19 1 0 0 0 0 7 23 1 0 0 0 0 7 42 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 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 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$