D02MMS -OEChem-10101305022D 39 39 0 1 0 0 0 0 0999 V2000 2.8660 -3.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 4 7 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 M END $$$$