D0K3IO -OEChem-09301911272D 53 54 0 1 0 0 0 0 0999 V2000 5.4071 0.1630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2508 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8779 -3.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6522 -6.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 -6.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6357 -5.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -4.2331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.7508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.7508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -2.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1927 -2.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 -2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 -3.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0534 -5.1467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0981 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -5.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 -5.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 -1.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 -1.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -3.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 -3.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4448 -2.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7992 -1.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1134 -2.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 -4.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 -4.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 -1.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 -4.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -5.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 0.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0356 -6.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5989 -7.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 26 1 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 4 46 1 0 0 0 0 5 23 1 0 0 0 0 5 47 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 9 16 1 0 0 0 0 18 9 1 6 0 0 0 9 40 1 0 0 0 0 10 31 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 31 2 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$