B3A4TN -OEChem-04012116292D 50 51 0 1 0 0 0 0 0999 V2000 5.4883 3.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 -3.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5066 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 2.5066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 2.8113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 1.2019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2619 2.0066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 3.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 3.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 -3.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 3.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 0.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 1.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 3.0892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 3.9535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 4.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 3.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4246 4.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 1.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 0.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 1.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 1.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -1.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -0.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 -2.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 -2.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5663 -1.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2426 -3.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8359 -3.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 -4.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 0 0 0 1 38 1 0 0 0 0 8 2 1 1 0 0 0 2 39 1 0 0 0 0 3 21 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 1 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 6 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 M END $$$$