D06TRS -OEChem-10101305022D 21 22 0 0 0 0 0 0 0999 V2000 2.0570 1.3184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 2.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4345 0.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 0.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8177 1.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 2.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 9 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$