D00GUG -OEChem-10101305022D 49 53 0 0 0 0 0 0 0999 V2000 3.8396 4.7909 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5716 4.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -3.2981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6998 4.2809 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3961 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -2.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -3.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2461 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0382 -1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 -0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1441 0.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0462 -0.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -4.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -4.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 1.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -4.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 2.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8165 2.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6883 3.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -1.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -3.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -3.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7056 0.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 0.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5715 -1.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1418 0.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5844 0.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -4.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -2.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -5.4109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -2.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 1.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2645 1.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -4.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0889 3.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2832 3.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 2 0 0 0 0 3 7 1 0 0 0 0 3 10 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 16 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 2 3 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 23 1 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 25 2 0 0 0 0 22 42 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 24 43 1 0 0 0 0 25 28 1 0 0 0 0 25 44 1 0 0 0 0 26 29 1 0 0 0 0 26 45 1 0 0 0 0 27 30 2 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$