D0M0TS -OEChem-10101305022D 43 43 0 1 0 0 0 0 0999 V2000 6.5661 -0.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.2156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0981 2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0524 1.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 0.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 2.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 2.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 2.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 2.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 1.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 0.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9234 1.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0866 2.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 2.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6538 0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3892 -0.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 0.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5550 1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3362 1.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9381 2.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 13 4 1 1 0 0 0 4 27 1 0 0 0 0 12 5 1 1 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 M END $$$$