BR8B3T -OEChem-04012115232D 44 47 0 0 0 0 0 0 0999 V2000 7.1567 -1.3080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 0.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4136 -2.5633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 -3.8680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8837 -3.0633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 -2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 -2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4136 -3.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 -2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 1.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 -3.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 -4.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2635 -1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0556 -2.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1616 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1782 -1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0636 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 2.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 3.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 4.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 1.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5793 0.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 1.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5989 1.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6825 -3.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2796 -4.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7230 -0.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5889 -2.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 -0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5644 -1.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1576 -1.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1592 0.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6018 -0.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 2.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 1.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 4.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 3.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 4.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 21 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 9 14 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$