D0B6SO -OEChem-04152110522D 56 58 0 1 0 0 0 0 0999 V2000 9.1549 1.1467 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0704 -0.9906 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 4.8747 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.9470 3.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4421 3.9237 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7948 4.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 -2.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3006 0.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2039 2.4557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 0.2004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3257 -1.7006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -2.0754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -2.7111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2039 1.4557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7427 1.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1549 2.7647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2576 1.1510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6740 1.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2576 2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5517 1.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5517 2.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4639 3.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6828 -3.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4732 -4.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6775 -3.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3384 -4.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0827 -4.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6578 -0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 -1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 0.6057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7165 3.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6951 0.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 2.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 1.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1873 0.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0533 1.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9161 1.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9161 2.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0533 2.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1873 3.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3610 -0.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0837 -3.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 -4.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2201 -4.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2675 -3.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 -2.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9731 -5.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 -5.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4462 -4.7091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6202 -3.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 0.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 -3.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 4 19 2 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 23 2 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 10 17 1 0 0 0 0 10 23 1 0 0 0 0 10 44 1 0 0 0 0 11 29 2 3 0 0 0 12 30 1 0 0 0 0 12 32 2 0 0 0 0 13 32 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 6 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 54 1 0 0 0 0 M CHG 2 3 1 5 -1 M END $$$$