D04GRS -OEChem-10101305022D 43 47 0 1 0 0 0 0 0999 V2000 7.3092 1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 2.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3211 0.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3534 -2.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 1.5898 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7209 1.0616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6309 1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9072 2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7727 3.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6149 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3629 1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3629 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 -0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6066 -1.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4816 -1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5462 -2.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8928 2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3649 -3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9752 0.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 0.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 -0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7054 3.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 2.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1737 3.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 3.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 3.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7073 1.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 0.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 0.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -1.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5486 -2.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3536 1.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3536 2.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8639 -0.2767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 -3.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3721 -3.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9849 -3.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 19 1 0 0 0 0 3 40 1 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 1 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 13 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 16 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$