D00018 -OEChem-05072121432D 55 57 0 1 0 0 0 0 0999 V2000 13.4308 2.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -0.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 1.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.0538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.0538 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 1.0538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.4462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.9462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 1.0538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2398 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9090 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4090 2.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8063 1.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9298 0.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7414 0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3238 0.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4105 1.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9754 2.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2174 2.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 1.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4636 1.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 2.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 2.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -2.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 2.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 2.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 25 1 0 0 0 0 3 27 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 40 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 18 2 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 22 2 0 0 0 0 9 22 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END $$$$