D0T2SJ -OEChem-10101305022D 57 61 0 1 0 0 0 0 0999 V2000 7.1962 -0.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8712 -2.8357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -3.7868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2479 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2532 -2.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 -2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 1.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 -2.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9266 -4.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0138 -3.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4119 -2.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6307 -1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 1.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 3.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 4.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 1.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 16 1 0 0 0 0 3 20 2 0 0 0 0 4 31 3 0 0 0 0 5 35 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 15 2 0 0 0 0 12 38 1 0 0 0 0 13 17 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 23 1 0 0 0 0 17 26 2 0 0 0 0 18 24 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 25 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 27 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 32 1 0 0 0 0 29 54 1 0 0 0 0 30 33 2 0 0 0 0 30 55 1 0 0 0 0 32 34 2 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 M END $$$$